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Theses and Dissertations 1. Thesis and Dissertation Collection, all items

1973-06

Secondary electron emission from

monocrystalline metal and alkali-halide crystals

Allen, Kristin Lloyd

Monterey, California. Naval Postgraduate School

http://hdl.handle.net/10945/16786

Downloaded from NPS Archive: Calhoun

 SECONDARY ELECTRON EMISSION FROM
MONOCRYSTALLINE METAL AND ALKALI-HALIDE
CRYSTALS

Kristin Lloyd Al len

nSSlVostgraduate School
93940
Monterey, California
NAVAL POSTGRADUATE SCHOOL
Monterey, California

THESIS
SECONDARY ELECTRON EMISSION
FROM MO NO CRYSTAL LINE METAL
AND ALKALI -HAL IDE CRYSTALS

by

Kristin Lloyd Allen

Thesis Ad irisor: D. E. Harrison, Jr.

June 1973

kppKov<Ld Ion. public h-dlzaAZ) di6&Ubu£Lon untunlte.d.

Secondary Electron Emission from Monocrystalline

Metal and Alkali-Halide Crystals

by

Kristin Lloyd Allen

Ensign, United States Navy
B.S.N.E., University of Virginia, 1972

Submitted in partial fulfillment of the

requirements for the degree of

MASTER OF SCIENCE IN PHYSICS

from the

NAVAL POSTGRADUATE SCHOOL

June 1973
 Library
Naval Postgraduate School
Monterey, California 93940

ABSTRACT

This thesis is a computer simulation of secondary electron

emission (SEE) from monocrystalline metals and alkali-halides

using a modified version of the Harrison, Carlston and Magnuson

single collision theory of SEE. Three cases of SEE are investi

gated: the angular dependence of SEE from Cu bombarded by Ar ,

the dependence of SEE as a function of energy for rare gas ions

normally incident on the (100) , (110) and (111) faces of

metal single crystals, and the dependence of SEE as a function

of energy for Ar and Ne ions normally incident on the (100) ,

(110) and (111) faces of KC1. The theory does not accurately

describe the angular dependence of SEE for monocrystalline Cu

targets, but does accurately predict the modified sec 6 depen-

dence found experimentally in polycrystalline studies. For

the metal targets, the difference between the theoretical

kinetic secondary emission result and the experimental datum

is identified as potential secondary emission. The alkali-

halide SEE simulation agrees reasonably well with experiment.

 TABLE OF CONTENTS

I. INTRODUCTION ------------------- 10

II. STUDY OBJECTIVES ----------------- 12

III. SECONDARY ELECTRON EMISSION THEORY -------- 13

IV. THEORIES CONCERNING SECONDARY ELECTRON EMISSION- -

19

A. THEORY OF PARILIS AND KISHINEVSKII ------ 19

B. THEORY OF HARRISON, CARLSTON AND MAGNUSON- - -

25

1. Inelastic Energy Transfer- -------- 28

2. Collision Parameters -----------30
Number of Electrons Emitted
Russek
3.
Model- ------------------ -

36

4. HCM Results- - - - _______ 38

V. MODIFICATIONS TO THE HCM THEORETICAL MODEL - - - -

41

A. INTERATOMIC POTENTIAL- ------------ 41

B. THE BASIC INTERACTION- ------------ 43

C. THE DISTRIBUTION OF IMPACT PARAMETERS- - - - -

44

VI. NUMERICAL METHODS AND COMPUTER PROGRAMS- ----- 53

VII. RESULTS- --------------------- 60

A. ANGULARLY DEPENDENT RESULTS- --------- 61

B. METAL TARGET RESULTS ------------- 61

1. Copper Bombarded by Ar
Ne Kr and
Xe Ions- -----------------61
, ,

2. Silver Bombarded by Ar , Ne and Kr Ions - -

72

3. Molybdenum Bombarded by Ar
Ne Kr and
Xe Ions- -----------------80 , ,

4. Aluminum Bombarded by Ar Kr and

Xe Ions- ------ ,

_____ _
80
 C. ALKALI -HAL IDE RESULTS ------------ 80

Potassium-Chloride Bombarded by
1.
Ar Ions ----------------- 102

Potassium-Chloride Bombarded by
2.
Ne Ions ----------------- 109

VIII. CONCLUSIONS AND RECOMMENDATIONS --------- 112

APPENDIX A - COMPUTER PROG MM PARAMETERS -------- 116

COMPUTER PROGRAM - HERMAN- SKI LLMAN RADIAL ELECTRON

DENSITY PROGRAM ----------- 121

COMPUTER PROGRAM - POTENTIAL PROGRAM ---------- 139

COMPUTER PROGRAM - DISTRIBUTION OF IMPACT

--------- 149
PARAMETERS PROGRAM-

COMPUTER PROGRAM - KSE PROGRAM -------------155

LIST OF REFERENCES ------------------- 170

INITIAL DISTRIBUTION LIST- --------------- i 72

FORM DD1473----------------------173
 LIST OF FIGURES

Figure Page

1. Potential energy diagram for a helium

ion as it undergoes Auger neutralization
at a tungsten surface. (3) ---------- 16

2. Potential energy diagram for a

metastable atom (He) as it undergoes
Auger de- excitation at a tungsten
surface. (3) ----------------- 17

3. Relationships between various quantities

appearing in the Dynamic Integral ------- 31

Representative areas for normal incidence.

4.
After (2) ------------------ - 33

5. Distribution of impact parameters for normal

incidence on face-centered cubic crystals - - - 34

6. Distribution of impact parameters for normal

incidence on body-centered cubic crystals - - - 35

Ar Cu results obtained from the HCM

7. -

original model- ---------------- 39

8. Representative area of a (100) FCC crystal

face rotated about <110> in either a positive
or negative sense --------------- 47

9. Representative area of the (100) face of an

FCC crystal rotated in a positive sense about
the <IlO> direction -------------- 48

10. Rotation geometry for a (100) face of an FCC

crystal about an arbitrary crystallographic
direction ------------------- 49

11. Unnormalized distribution of impact parameters

for FCC (100) rotated through various angles
about <110> ------------------ 52

12. Deck setup for running the Electron

Density Program ---------------- 55

13. Deck setup for running the Potential Program- - 56

14. Deck setup for running the Distribution
of Impact Parameters Program- ---------57
15. Deck setup for running the Interpolation
Program --------------------58
16. Deck setup for running the KSE Program- - - - - 59

17. SEE coefficient vs. angle of rotation for

(100) FCC Copper crystal. Direction of
-----------62
rotation was about < 1 1 0> -

18. Cu bombarded by Ar ions normally incident

on the (100), (110) and (111) planes- ----- 64

19. Cu bombarded by Ne ions normally incident

on the (100), (110) and (111) faces ------ 65

20. Cu bombarded by Kr ions normally incident

on the (100), (110) and (111) faces ------ 66

21. Cu bombarded by Xe ions normally incident

on the (100), (110) and (111) faces ------ 67

22. PSE contribution to + secondary electron

emission for the Ar - Cu system- ------- 68

23. PSE contribution to + secondary electron

emission for the Ne - Cu system- -------69
24. PSE contribution to + secondary electron
emission for the Kr - Cu system- -------70
25. PSE contrubition to + secondary electron
emission for the Xe - Cu system- -------71
26. Ag bombarded by Ar ions normally incident
on the (100), (110) and (111) faces ------ 73

27. Ag bombarded by Ne ions normally incident

on the (100), (110) and (111) faces ------ 74

28. Ag bombarded by Kr ions normally incident

on the (100), (110) and (111) faces ------ 75

29. PSE contribution to + secondary electron

emission for the Ar - Ag system- -------76
30. PSE contribution to + secondary electron
emission for the Ne - Ag system- -------77
31. PSE contribution to + secondary electron
emission for the Kr - Ag system- ------- 78

32. Effect of varying target atom ionization

in the HCM model on s_econdary electron
emission from the Ar - Mo system -------81
33. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Ar - Mo system -------82
34. Effect of varying target atom ionization
in the HCM model on secondary electron
emission in the Ar - Mo system --------83
35. Effect on varying target atom ionization in
the HCM mod^l on secondary electron emission
from the Ne - Mo system- ----------- 84

36. Effect of varying target atom ionization

in the HCM model on secondary electron
emission from the Ne - Mo system -------85
37. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Ne - Mo system -------86
38. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Kr - Mo system -------87
39. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Kr - Mo system -------88
40. Effect of varying target atom ionization
in the HCM model on s_econdary electron
emission from the Kr - Mo system -------89
41. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Xe - Mo system -------90
42. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Xe - Mo system -------91
43. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Xe - Mo system -------92
44. Effect of varying target atom ionization
in the HCM model on secondary electron
'

emission from the Ar - Al system -------93

45. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Ar - Al system -------94
46. Effect of' varying target atom ionization
in the HCM model on secondary electron
emission from the Ar - Al system -------95
47. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Kr - Al system -------96
48. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Kr - Al system ------- 97

49. Effect of varying target atom ionization

in the HCM model on s_econdary electron
emission from the Kr - Al system -------98
50. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Xe - Al system -------99
51. Effect of varying target atom ionization
in the HCM model on secondary electron
emission from the Xe - Al system ------ -100

52. Effect of varying target atom ionization

in the HCM model on secondary electron
emission from the Xe - Al system ------ -101

53. Representative area KC1 (100) -------- -103

54. Representative area KC1 (110) -------- -104

55. Representative area KC1 (111) -------- -105

56. Potassium distribution of impact

parameters in KC1 -------------- -106

57. Chlorine distribution of impact

parameters in KC1 ---------- 107

58. SEE coefficient as a function of energy

for KC1 bombarded by Ar ions -------- -108

59. SEE coefficient as a function of energy

for KC1 bombarded by Ne ions -------- -111
 ACKNOWLEDGEMENT

I would like to thank Dr. Don E. Harrison, Jr. of the

Naval Postgraduate School for his assistance in the prepara-

tion of this manuscript and for the many hours of conversa-

tion that resulted in a better understanding of the theories

presented here. To my wife, Sarah, I express my sincere

appreciation for her patience and understanding during the

long hours spent in gathering data and writing this manuscript

 I. INTRODUCTION

Secondary electron emission is the release of electrons

from target materials bombarded by primary ions. The first

observation of secondary electron emission in 1889 was by

Villard who noticed electrons being ejected from the cathode

in a discharge tube. Secondary electron mission (SEE) is

characterized by the coefficient of ion-electron emission,

y, which is defined as the number of electrons liberated per

incident ion.

Secondary electron emission can be produced by two

mechanisms, potential emission (PSE) and kinetic emission

(KSE) . Potential emission arises from the fact that as an

ion approaches a target material it may become energetically

feasible for a free electron to be emitted from the target

surface either by Auger neutralization or Auger recombination

On the other hand, kinetic emission arises from the actual

collision between the electrons of the impinging ion and

the electrons in the target atom. In general, y depends

primarily upon the PSE mechanism at ion energies below one

Kev and the KSE begins to contribute at ion energies above

one Kev. Although this is a fairly good rule of thumb,

variables such as the work function of the target material,

ion charge, surface state of the target, target temperature,

and whether the monocrys talline or polycrys talline nature

of the target affect the va?ue of the KSE threshold.

10
Medved et al . [1] have shown that potential emission

from Ar and Ar° on Mo increases with energy, with the

total SEE at higher energies consisting partly of a KSE

component and partly of a PSE component. In general there

exists a transition region that is not sharply defined and

for this reason it is felt that PSE contributes to secondary

emission in the energy range above one Kev, even though the

KSE should be the dominant emission mechanism in the one

to ten Kev energy range. Both types of emission are investi

gated in this thesis.

11
 II. STUDY OBJECTIVES

In 1964 Harrison, Carlston and Magnuson [2] proposed

a single collision theory of secondary electron emission

from monocrys talline target materials in the one to ten Kev

primary ion energy range. The original paper develops a

theory applicable to monocrys talline targets bombarded by

inert gas ion beams directed normal to the (100) , (110)

and (111) crystal faces. This thesis will extend this

theory to explain the following phenomena in the one to ten

Kev primary ion energy range

1. Secondary electron emission from a single crystal

plane rotated arbitrarily about a crystallographic
axis ,

2. Secondary electron emission from metal single

crystals and
,

3. Secondary electron emission from alkali-halide

monocrystals

12
 III. SECONDARY ELECTRON EMISSION THEORY

Secondary electron ejection mechanisms are either of

the potential or kinetic type. Potential ejection can be

caused by resonance neutralization, resonance ionization,

Auger neutralization, or Auger de-excitation. Kinetic

ejection requires the direct transfer of the ion's kinetic

energy to the electrons of the target atom. Both mechanisms

are discussed below.

Resonance neutralization occurs when it is energetically

feasible for an electron in the target material to "tunnel"

through its potential barrier and approach the position of

the incoming ion. This stage of the process increases the

energy of the ion and target atom system by an amount equal

to the energy needed to remove an electron from the metal.

This energy can range from near zero to <j> , the work function

of the target material. In the second stage of resonance

neutralization, the electron and the ion combine, effectively

at infinity, to reduce the system energy to an amouht V .

the ionization potential of the ion. This mechanism is not

quite as simple as it seems, since it is affected by the

image potential and coulombic forces of the electronic

structure of the atoms in the crystal. According to the

Franck-Condon principle, the electronic transition of the

electron from the target material to the ion can only occur

with appreciable probability when the position and velocity

13
of the ion are not affected by the transition. By this

principle we expect a crossover of the initial and final

potential energy curves of the system. Taking the image

potential into account, resonance neutralization can occur

for reasonable separations of ion and target atom when

(V.
v
- V )
J
-
r
(J)
+ I < w
i e s a

and

(V.
v
- V )
J + I >
1 e s

Therefore r
<j> < (V-
K
- V )
J
+ I < W ,
'
1 e s a

where $ is the work function of the target material, V- , the

ionization potential of the ion, V , the excitation potential

of the primary ion, I , the surface image potential and W ,

s a

the initial kinetic energy of the primary ion.

The second possible potential ejection mechanism is

resonance ionization which is essentially the reverse process

of resonance neutralization. In resonance ionization an

excited atom at infinity is ionized into an electron and an

ion. The electron then proceeds to the metal surface and

occupies any of the unfilled available states above the Fermi

level of the metal. As in resonance neutralization, there is

a range of ion-target atom separation for which the process

is most likely to occur. There is also the possibility that

a highly excited atom will be ionized very close to the

target surface with a subsequent high probability that a

secondary electron will be produced.

14
 Although the above processes are possible, they are

not the ones that make the largest contributions to secondary-

electron emission at low energies. Auger processes, which

occur at distances of approach of 3 a or less, are the

primary mechanisms contributing to PSE in the low Kev

energy range. These can be summarized as follows [3]:

Auger neutralization:

X + ne -> X + e + (n-2)e
m j

and

Auger de-excitation:

m
X + ne" •> X + e" + (n-l)e"
v J
m m '
,

where X and X refer to the bombarding ion or metastable

atom, respectively, and ne" is the number of free electrons

initially in the target material. In both cases, the final

state of the system is such that a free electron and a

neutral atom are produced. Auger neutralization occurs

when the energy of the initial system, target and ion, is

greater than the resulting system, X + e~ + (n-2)e , at

infinite separation. Schematically the process is shown in

Figure 1 [3]. Auger de-excitation, on the other hand,

involves a metastable atom which approaches the target

material. As a result, the initial energy curve, shown in

Figure 2 [3], is not modified by an image potential and

hence the initial and final energy states never cross.

15
 4

2
Er2u

2 E
kffVn in

4-

I
>-
6
O 8
LU
z 10
^k ~W He
(e + e"+ (n-2)e-

LU

12-

14

16

18

00
2 3 4 5 6
S(A)

Figure 1. Potential energy diagram for a helium ion as it

undergoes Auger neutralization at a tungsten
surface (3)

16
 S(A)

Figure 2. Potential energy diagram for a metastable atom (He)

as it undergoes Auger de-excitation at a tungsten
surface (3)

17
These two processes, to a great extent, account for low

energy (ev range) secondary electron emission.

Kinetic emission is the result of the direct transfer

of the incoming ion's kinetic energy to the atom's electrons.

Part of this energy is absorbed in the recoil of the atom,

while some of the remaining energy is transferred to the

electrons of both the ion and target atom, causing an

excitation of both of their electronic structures. As the

two nuclei separate, some of the perturbed electrons are

liberated as secondary electrons. The ion and recoiling

target atom are slowed down within the crystal structure

of the target material and are likely to undergo Auger

neutralization or de-excitation. If this process occurs

sufficiently close to the surface of the target material,

there is a probability that these electrons also will

escape from the target materials surface and contribute to

kinetic secondary electron emission.

18
 IV. THEORIES CONCERNING SECONDARY ELECTRON EMISSION

A. THEORY OF PARILIS AND KISHINEVSKII

Of all the theories proposed to explain kinetic secondary

electron emission, the theory of Parilis and Kishinevskii

(PK) seemed to be one of the most promising [4] . PK

divided the secondary electron emission problem into two

separate subproblems which were analyzed separately and

subsequently collated to develop the theory of KSE. These

two subproblems included:

1. The search for a sufficiently effective mechanism

of transfer of the kinetic energy of a moving
particle to the (target) electron; and

2. The description of the yield of excited electrons

from the target. [4]

PK assumed that the solution to the first problem was of the

form proposed by 0. B. Firsov for inelastic scattering of

ion-atom collisons in the Kev range [5]. Secondly, PK

visualized the secondary electron emission process as one

in which the primary ion ionizes many atoms as it progresses

along its trajectory in the crystal. Electrons produced

in this manner, or by further ionization of the primary

ion, then proceed to the surface suffering collisions and

energy losses as well as possible capture in route. The

combination of the electron production phase and the elec-

tron escape phase then yields the KSE from the crystal.

The actual collision between the ion and the atom was

seen by PK as being accompanied by an overlap of the

19
electron shell structure of the two collision partners,

during which time there occurred an electronic interaction.

Energy was transferred between colliding particles, exciting

their electrons to a higher energy state. To calculate this

excitation energy, a statistical picture of the electron

distribution of the particles was used. The theoretical

relationship, based on the Thomas-Fermi (TF) model of the

atom, leads to the following formula for the energy trans-

ferred between the colliding particles:

2 2
m e 9
E = f (/ <JT dS) R • dR ,

4tt "ft

where R is the radius vector connecting the centers of the

colliding particles, S is the surface separating the domain

of action for the potential of the two particles, and <j>

is the potential on this surface given by:

* [
(Z
1
+

r
Z
2
)e
) x t
1.13(Z
i
a
—+

Tp
Z )
1/3 r
] ,

2 2
where Z. is the charge on each particle, a p = h /me and

X is the TF screening function [8]. Physically, the inter-

action can be thought of as analogous to the collision of

two tennis balls. As they impact, both deform, with the

vector joining their centers being perpendicular to the

area S of the plane of interaction which separates them.

Obviously the total energy transferred is a function of the

relative velocity with which the ion and atom impact and

20
the electron distribution associated with each. In terms

of the tennis ball analogy, the greater the relative impact

velocity, the larger the deformed area S, the shorter the

radius vector distance R, and the greater the number of

electrons involved.

The analysis was rewritten by PK in terms of the impact

parameter associated with the collision. Hence by changing

variables

E( P ) -%&! + z )
2
r (1 - v(r))
dR
2
R
[i -
n^ - 4]
2

2
m X (p) dp
f
R/2 p

where u is the initial velocity' of the ion, E is the '

o

excitation energy of the colliding particles, p is the impact

parameter and V(r) is the potential of repulsion between the

particles

To obtain the correct behavior of the emission curve,

the cross section of electron ejection into the conduction

band had to be calculated. Because more than one electron

may be lifted from the valence band to the conduction band,

the cross section was determined to be

a = £ (constant) • (Probability of ionization)

P '(Impact parameter)

21
which in the integral limit approaches

p
1 £-^i
a = 2tt / P dP •
J
o

Here P
1
is the impact parameter at which E(P,) = 6 -
<J>,

where 6 is the energy depth of the filled conduction band,

<J>
is the work function of the target material and J is the

average ionization potential for the outer shells of the

atom. For 1/4 < Z-, /Z < 4 PK found the cross section to
2

be given by

2
1.39 a h (Z + 1

T1-
)

S
°(V .. 1/2 +
. 1/2,2 <V
^1 L
2 j

and S(u ) is approximated by

7
S(u = 5.25 u arctan (.6 x 10" (u - u
)
J
nun ;))
.
v k
o o o

where u is the threshold velocity. After determining&

mm
.
'

the probability that an electron will be promoted from a

filled band to the conduction band, PK assumed that most

of these electrons remained in the conduction band because

of the surface potential of the metal target. However,

because a hole is left in the valence band, an Auger recom-

bination is possible with subsequent emission of an electron

from the metal. The probability that this process occurs is

given by PK as

w(6) = 0.016 (6 -
2(f)) .

22
PK assumed that both PSE and KSE were due to Auger

processes [4]

After the secondary electrons have been produced, they

suffer collisions as they proceed to the surface of the

metal. These collisions degrade their energy and increase

the probability that they will be lost through recombination.

PK assumed that the number of electrons which reach the

surface is given by an exponential law of the form exp (-x/X)

where x is the depth at which the electrons are formed in

the crystal and X is the mean free path of the electrons

in the material. Specifically, the number of electrons

emitted per ion incident on the surface is given by

Y = £ (Number of atoms , (Prob.that an electron

x per cubic centi- will be ejected into
meter) the conduction band
and a hole left in
valence band)

(Prob. that an electron

will escape to the
surface of the crystal)

which in the limit goes to

X
n
y = / N a (u) w (6) exp (-x/X) dx ,

where X is the maximum depth at which the ion retains

n
sufficient energy to ionize a target atom. Upon taking

into account the degradation of energy of the primary ion

as it suffers multiple collisions and the diffusion cross

23
section of the electrons, PK arrived at the final expression

for y :

Y = N w(6) X [a (u ) - Aa (u )] ,

where

Aa (u
Q
) = exp (-U /(KA)
Q
U
/ o
u min
exp (u
2
/(KA))
da ™ du

and
2
2.48tt N • a Tr e Z, Z„
t^ _ l_r 1 Z

1/2
(M
2
+ M^CZ^ 72 + Z
2
)

The PK theory predicts the following trends [3]

"1. Low velocity region: u = u Aa (u term is

' b o mm .
,
o
)

important..., y increases slowly with u ,

2 2
(a(u - Aa(u )) = u - (3/2 u Hence
v v
oJ
) y
oJ J o *• '
mm^ .
) .

?
initially y k u , i.e., y is a linear function

of energy. .

2. High velocity region: (a(u ) - Aa (u )) =

- 1 - 7
u tan (.6x10 (u -u )). This expression
o *
K
o mm 77
.
^

asymptotically approaches the straight line

a (u = c(u -u and therefore increases

v
o
)
o mm .
)

linearly with velocity. Extrapolating the

linear portion back to a (u )=0 a value of the

intercept u =1.05x10 cm/sec is obtained;

this is independent of ion target combination.

3. Very high velocities: Here ion penetration depths

are greater so that electrons are formed further

24
 from the surface. The number escaping to the

surface and therefore the yield is expected

to pass through a maximum. This is confirmed

experimentally.

4. No yield dependence on ion charge is predicted.

5. A dependence of yield on the ion target combination

of the form 1/2 1/2 2

( CZ +Z ) / (Z +Z ) ) for heavy
2 2

ions and ( {1^

,2 +
Z^ 12 (Z^ 6 + Z 2 1/6
) )
3
) for light ions

If the term Aa (u ) is important ... the yield is

independent of ion-target combination to a first

approximation.

6. Dependence of yield on the angle of incidence

6 is expected to be of the form y .

= sec since

the probability of electron escape is a function of

the shortest distance to the surface and the proba-

bility of formation of electrons is a function of

the actual distance traversed.

7. The effect of the isotopic mass on yield is

anticipated to be connected with the different

retardation rates for the isotopic pairs." [3]

All of these conclusions are approximately confirmed by

the experimental results.

B. THE THEORY OF HARRISON, CARLSTON AND MAGNUSON

The PK theory uses many simplifying assumptions which

introduce approximations into the results obtained. In

25
particular, the PK theory predicts secondary electrons of

only average energy, two to five ev, and data obtained

by Wolff [6] of SEE from copper bombarded by ten Kev argon

ions indicates some secondary electrons emitted have energies

greater than 140' ev.

In the PK theory secondary electron emission was viewed

as a two-step process in which ions were first produced

along a path in the target material and subsequently diffused

to the surface with possible scattering or Auger emission

occurring along the path. This model does not yield the

high-energy secondary electrons which are reported experi-

mentally. In an effort to explain this discrepancy between

experimental and theoretical result, Harrison, Carlston

and Magnuson [2] (HCM) proposed a "single collision" theory

of secondary emission. This theory, though in many respects

similar to the PK theory, has as its basic philosophy an

electron production mechanism which differs from the model

proposed above.

HCM proposed a model in which an ion approaching a target

surface first undergoes resonance neutralization and subse-

quently collides with the first layer of atoms in the target

material in the un-ionized state. Even though the primary

particle is neutralized before the collision, the terminology

of "ion" is retained here to distinguish between the primary

particle and the target atom after collision. For simplicity

HCM assumed that the electrons liberated due to the inelastic

energy transferred between the electronic structures of the

26
ion and the atom all come from the ion, which allowed them

to ignore the energy partition between collision partners.

Theoretical work by Harrower [7] indicates that the Auger

- 14
process requires a time on the order of 10 seconds while

in the one to ten Kev energy range the collision process

- 14
takes on the order of 5 x 10 seconds. This indicates

that, statistically, the ion usually does not have time to

neutralize before its next collision and for all practical

purposes cannot contribute further to the secondary electron

emission process. These results lend credence to the single

collision model. Mathematically HCM proposed:

(hk£)
(hU) SMAX
Y - K / n (s,E )
p0*« (s) ds
o e TFF
Lt>t
,

KSE

(hk£)
where y is the number of electrons emitted per incident
KSE

ion when the ions are normally incident upon the (hk£) surface

s is the impact parameter of the ion on the atom; Erppp is

the inelastic energy transfer between the ion and the atom;

n *
^(s,E TFF ) is the number of electrons this energy will

produce; and P^ -*
(s) is the probability that the impact

parameter s will occur in the (hk£) surface. This equation

contains three adjustable parameters, the constant K and two

constants which enter into the calculation of <j> , the electron

density, and the interaction potential V(r) . By symmetry,

these last two constants must be the same for all orientations

of the particular crystal plane, (hk£) , in question.

27
According to HCM, the constant K is a factor which accounts

for three physical processes:

1. The probability that an electron will be emitted

from the surface (a value close to 1/2);

2. The probability of additional emission by an

Auger process; and

3. The probability that a high energy electron

escapes before it is scattered back into a
conduction band. [2]

All of these processes are orientation independent. The

factors which appear in the formulation of the HCM secondary

electron emission equation are discussed in detail below.

1. The Inelastic Energy Transfer

In the HCM theory E„ is the inelastic energy

FF
transferred in the collision process and is basically the

same as E(p) in the PK theory. However, as HCM point out,

because the interaction involves atoms spaced regularly in

a lattice array, the inelastic energy integral does not have

an infinite upper limit as was assumed by PK. Specifically,

r
- max
f (l-V(r)/E
o
) dr
E
TFF^
S
'V ~ K
TFF \
(1-V(r)/E -s /r
;
z
TU
)

r
mm .

r
EM
2 (p) dp
P
r/2
where

1/2 2
L (E /(2m )) (Z 1+ Z
TFF o 1 2
)

2 2
a = h /(me ) = .529
H

and E is the energy of the ion in the center of mass system;

q
Z, and Z- are the ion and atom nuclear charges, respectively;

r ^s t ^ie distance °f closest approach; and is the

min <j>

Thomas-Fermi (TF) screening function:

0.8034-, "3. 734

4>(p) = [1 + (a p)
p

where
1/3
a ((Z +Z )/144)
TF 1 2
0.8853

and a TF is one of the adjustable constants introduced above

By experimenting with different sets of potentials, in

conjunction with the screened electron distribution, HCM

found that the best agreement with experiment was obtained

when the potential V(r) was of the Born-Mayer form [2]

V(r) = exp (A+Br) = A 1

exp (Br)

with B always negative, and where A is the second of the

above mentioned arbitrary constants. HCM referred to the

integral containing dp as the electron integral. The con-

vention is retained here.

29
 Several important results were noted by HCM in the

formulation of their original model. First, the dynamical

s
integral was extremelyJ sensitive to its upper
to
* r
limit r^ *
max ,
'

whereas the electron integral was not sensitive to varia-

tions in r c ;,. For this reason r cx , was set at a value some-

EM EM
what larger than the nearest neighbor distance R , in the

crystal lattice, and retained this value for all orienta-

tions of the crystal lattice. On the other hand, the upper

limit of the dynamical integral was extremely sensitive to

the nearest neighbor distance. Such a behavior is expected

because as each ion collision with a particular atom termi-

nates, another must begin with one of its neighbors. From

a particle dynamics point of view, HCM found that by

treating the actual collision with the lattice as a binary

collision between the incoming ion and any single atom

within the first repeat distance of the crystal plane, the

theory yielded results which approximated those obtained by

experiment. Figure 3 indicates the geometrical relation-

ship between various quantities associated with the

dynamical integral [2].

2. Collision Parameters

Because of the repetitive nature of the lattice, or

lattice plane, it is not unreasonable to think of a "repre-

sentative area" which characterizes the lattice plane as a

whole and hence its distribution of impact parameters. If

no lattice were present, and only one target atom, there

would be no characteristic area and the occurrence of a

30
 mm
DYNAMICAL INTEGRAL
GEOMETRY
FCC (100)

Figure 3. Relationships between various quantities appearing

in the Dynamical Integral.

31
collision with any impact parameter would be possible,

yielding an infinite collision cross section. As an ion

approaches a plane of atoms in a crystal, however,

there exists .an allowable set of impact parameters for the

ion-atom collision. Specifically, in a lattice there exists

an impact probability distribution, p v

(s) , for each

crystal orientation. For normal incidence HCM proposed the

areas shown in Figure 4. These areas are representative of

the normal impact of an ion with any atom on the specified

crystal surface, viz., by symmetry operations they fill plane

space and are representative under any of these symmetry

operations of what an ion "sees" as it approaches the planar

surface normally. There are many distributions which could

be considered probability distributions. HCM considered the

following

1. The distribution of values of s measured to the

nearest surface atom;

2. The distribution of all values measured to all

atoms which project their area into the repre-
sentative area;

3. The distribution of smallest impact parameters

when all atoms are considered [2].

The third case was the only one which yielded results in

agreement with the experimental data. The distributions

for normal incidence on FCC and BCC metal targets are shown

in Figures 5 and 6.

Operationally, the distributions are determined as

follows: First, the representative area is chosen.

"Points" are shot at the representative area, and the distances

32
Figure 4. Representative areas for normal incidence
After (2).

33
 I I I I I I I I I I i i i i i i i i i
i i i

lO
FCC
z Distributioi
LlI
Q 4
>-
h-
_J
s 3
<
DQ
O
cr
Q_ 2
Q
UJ
N
_l i
< i

2
CC
O
5678
: f i

1 2 3 4 9101.11.2
IMPACT PARAMETER
(Ro units)
Figu re 5. Distribution of impact parameters for normal
incidence on face-centered cubic crystals.

34
>- 2 I I I I I I I 1 ) I I I I I I I I 1 I I I I 1 1

BCC (100) '

lO
Z Distribution
LlI
Q

' »V '

1 2 3 4 5 6 7 8 91.01112
IMPACT PARAMETER
(Rounits)
Figure 6. Distribution of impact parameters for normal
incidence on body-centered cubic crystals.

35
between the impact point and the centers of the atoms lying

in the representative area are measured. For each atom the

distances for points that are measured to be closest to it

are tallied. After a sufficient number of points are tallied

to yield good statistics, the distribution for each atom is

weighted by a factor to account for the fractional portion

of atom lying in the representative area. The atoms' dis-

tributions are then added and scaled so that the total

area under the resulting curve is unity.

3. Number of Electrons Emitted- -Russek Model

One of the major shortcomings of the PK theory was

that it used average ionization energies to obtain an ioni-

zation cross section. This is to say the PK theory did not

consider the electronic structure of the target atom. HCM

adopted a model proposed by Russek [9] to obtain the number

J
of electrons liberated per collision, n^ (s,E
TF p).
In

his original paper, Russek proposed two ionization models of

interest, the uniform ionization model (UI) , and the staggered

ionization model (SI). The UI model assumed that as electrons

were liberated by the collision process, the amount of energy

required to liberate any one electron was the same as that

required to liberate any other electron. On the other hand,

the SI model assumed that each electron liberated required

more energy than was required to liberate the preceding

electron. For the SI case Russek shows that the probability

that n electrons will be liberated from a shell, which

contains M electrons is given by:

36
 j^nglON +
ION
i£
p
m
n
-
(
K
M
n'
) z
k
i=0
. (-i)J
^
1
K
(
M n
:
i
)(—^
J K
!_!£!)J
M_1

TFF

u
where i
k ,
< m
(E^^/E/nION -
-ION^ION.
nE /E
, ._
)< k+1 and M is the number
, ., .

- IFF n +i n+ i n+1 -

of electrons available in the outermost shell of the atom;

E is the energy required to remove the n of these

n
electrons and E
T
„„ is the energy available to cause this

removal. Two things should be noted. First, the impact

parameter enters this calculation through the inelastic

energy transfer. Second, when E = E one obtains

n+1 n

the UI model. After normalizing the function, P^ , viz.,

(M)
i
n=0 \ p
n
= i

then, from probability arguments, the number of electrons

liberated is

— e
7f
K
T¥¥ J
r vM
n=0
r> (

n
M)
<

HCM were unable to obtain good results with the Russek

UI model. In all cases, y increased much too rapidly as a

function of energy. On the other hand, the SI model yielded

reasonably good results, where spectroscopic values for E

were used.

37
 4. HCM Results

HCM investigated the Ar - Cu system in detail.

They first examined the E dynamical integral for various

types of potential functions and found that the PK potential

which was of the, Thomas- Fermi- Firsov type was too hard for

small values of E , viz. , the hard core radius of the target

atom was too large, in this energy range, to yield accepta-

ble results. Attempts at softening the potential by decreas-

ing a„p failed. For this reason HCM assumed a potential

function of the Born-Mayer type. The potential function

used in each case was found by matching the exponential to

the TF screening function at some separation.

HCM assumed that the experimental data contained both

potential, Y P cn> an<3 kinetic, Y K qp> contributions to the

total secondary electron emission coefficient. Therefore,

HCM identified the y at which KSE begins to contribute as

Ypcp and assumed this value remains constant for all energies
This value for Ypcp was then subtracted from the experi-

mentally determined y for the (111) surface at 10 Kev. The

(111) value of Y KSF at 1° Kev, obtained from theory, was

scaled to this point, and all other points were multiplied

by the scale factor used in performing this operation.

Finally the constant value of Ypqp was added to all the

scaled theoretical values. The result is the HCM value for

the total secondary electron emission. The results of the

HCM theory for the Ar - Cu system are presented in Figure 7.

38
 1.0 • i i r 1 1 i
i

0.9 - Ar* - Cu(SIKGLE CRYSTAL) -

NORMAL INCIDENCE

0.8 © (111) FACE

A (100) FACE j/aill)

0.7 - E (110) FACE -

0.6 - -

0.5 -
^CLOO)^
So.4 L

0.3 U- -
^(110)

0.2 "* -

/ S^^^
0.1

1 1 1 1 1 1 1 1 1

3 4 5 6 10
ION BEAM ENERGY (Kev)

Figure 7. Ar - Cu results obtained from the HCM original

model. Taken from (2).

39
In general, HCM's theory agrees reasonably well with

experimental results for all systems studied except Ar - Mo.

40
 V. MODIFICATIONS TO THE HCM THEORETICAL MODEL

A. INTERATOMIC POTENTIAL

Independent of the philosophy behind the basic interaction

the HCM theory, like the PK theory, is highly dependent on two

specific assumptions. First, both assume that the inelastic

energy transferred is of the form proposed by Firsov. Second,

both theories must assume an interatomic potential function

which is consistent with the electron distributions of the

ion and atom. Since the Firsov model is presently the only

comprehensive model available for the inelastic energy

transfer, it has been retained here as an approximate model

of the inelastic collision process and is assumed to be

sufficiently accurate for our purposes. However, the inter-

action potential used in the Firsov model need not be of

the Thomas-Fermi form, but may be derived from a more

accurate representation of the electron distributions of the

ion and atom.

The interaction potential is derived from the electron

distributions of the collision partners. These potentials

exist on three general levels of sophistication: (1) The

Bohr and Born-Mayer potentials which are derived from

electron distributions which provide screening of the

nucleus in a self -consistent , but not necessarily accurate,

manner; (2) Thomas-Fermi and Thomas-Fermi-Dirac potentials

which are derived from statistical pictures of the electron

41
distributions of the collision partners; and

(3) Potentials generated from electron densities derived

numerically from Schroedinger ' s equation.

Parilis and Kishinevskii used a Thomas-Fermi potential

function in the theory they proposed.

> Statistical models

of the atomic electron distribution, such as in the TF

model, are based on studies of inhomogeneous gases and

approximate solutions of Schroedinger ' s equation consistent

with this picture [10, 11]. They require that the total

electron energy be a minimum and that the electron density

integrate to the total number of electrons in the system.

Approximations may be made to evaluate the exchange and

correlation energies. When the exchange and correlation

energies are omitted and the kinetic energy is approximated

by a plane wave, the TF atomic model results [11]. If the

exchange energy is retained and the kinetic energy is

approximated by a plane wave, the TFD atomic model results

[11]. The TF model of the atom has been used extensively

by Firsov, whereas the TFD model appears in papers by

Abrahmson [13]

Potential functions based on Hartree-Fock solutions of

the atomic Schroedinger equation have been discussed by

Wedepohl [12], Harrison [13], and Wilson [14]. These

potentials assume the adiabatic approximation, use

spherically symmetric electron distributions which have

shell structure, and take into account the correlation,

42
kinetic and exchange energies through various approximations.

They appear to lead to improved calculations of the interac-

tion potential [8, 14, 15]. The present investigation

utilizes an interaction energy calculation similar to that

proposed by Wedepohl [12]. However, the electron densities

from which the potential is derived are calculated from the

Hartree-Fock-Slater self - consistent wave functions calcu-

lated from the Herman-Skillman [16] computer program. The

reader is referred to the original book [16] for detailed

information on the calculation of the atomic electron dis-

tribution functions and to the work by Torrens [8] for a

general discussion of the interaction potential.

B. THE BASIC INTERACTION

Harrison, Carlston and Magnuson assumed that all of the

secondary electrons produced in the single collision model

came from the ion. This assumption was tested by choosing

various values of E in the Russek model and noting the

dependence of n (E on E This experiment was car-

TFp )
.

ried out for the Ar - Cu system. The results were most

favorable for E? equal to 15.8 ev, the first ionization

potention of argon, and least favorable for neutral copper's

first ionization potential. This approximation was an

attempt to simplify the model so that detailed models of

energy sharing mechanisms could be avoided. In this

present investigation, this assumption has been relaxed to

include contributions to the secondary emission by the

target atom.

43
 Theoretically, the interaction is viewed as the collision

of two atoms having spherically-symmetric, shell structured

electron distributions. As the atoms collide, they are

assumed to form a "molecular" structure whose electron

ionization potential distribution is comprised of the

separate ionization potentials of the electrons of the atoms

involved in the collision. Since electrons are ejected on a

"least energy" principle, the values of E used in the

Russek model have been modified by include both primary ion

and target atom ionization energies which are arranged in

increasing order of magnitude, irrespective of the atom to

which they belong. The mean number of electrons is a compli-

cated function of the inelastic energy transfer and the

energy necessary to effect each electron's removal.

C. THE DISTRIBUTION OF IMPACT PARAMETERS

To accomplish the objectives of this present investigation

one additional modification to HCM's original paper had to be

made. Since the angular dependence of y was to be studied,

a new distribution of impact parameters had to be calculated.

Fortunately, according to the HCM paper, this modification

to the mathematical model is the only change required to

take into account rotations of the crystal plane around an

arbitrary crystallographic direction. No other factor

entering into the secondary electron emission equation is

orientation dependent [2].

44
 Two possible solutions to this problem are proposed

below. First, a crystal plane normal to the direction of

incidence of the ion beam can be found, from which a repre-

sentative area can be constructed. Such a formulation would

be analogous to cutting the crystal in such a manner that

it presented a planar area normal to the incident ion beam

and finding an area on this plane which would be representa-

tive of that orientation. Alternatively, a representative

area constructed from the crystal face which was experi-

mentally rotated can be used and mathematically rotated

about the specified crystallographic axis. In practice, the

first method is computationally restrictive because it

requires that a representative area on a plane normal to the

incident ion beam be found for each orientation. For this

reason it is not pursued further here.

The second method mentioned above yields a result

that is more in line with the reasoning behind HCM's

original definition of the distribution of impact parameters.

Practically speaking, a representative area is found for

each crystal face which fills plane space and is representa-

tive of what an ion sees as it approaches the crystal plane

from an arbitrary direction. Unlike the representative

areas for normal incide;. e, angularly dependent representa-

tive areas must be truly representative for all possible

rotations of the plane and not simply for one particular

orientation. The representative area for the FCC (100)

surface which can be rotated in either a positive or negative

45
sense about the <IlO> crystallographic axis is shown

in Figure 8. Note that atoms which lie within the first

repeat distance of the crystal plane are eligible target

atoms in the representative area by HCM's definition of

representative area. Also note that these atoms from the

lower atomic plane appear to move as the crystal plane is

rotated in a positive sense about the <110> axis (see

Figure 9). This behavior can be verified by physically

rotating a stick and ball model of the lattice structure

about the indicated axis.

Once the representative area is chosen, its rotational

properties and corresponding distribution of impact

parameters are calculated as follows. The representative

area is placed in the first quadrant of a rectangular

coordinate system (x,y) (see Figure 10). In this system,

the crystallographic axis of rotation is specified by two

parameters

1. The angle of the crystallographic axis makes with

the x-axis of the rectangular coordinate system
(x,y); and

2. The y-axis intercept of the crystallographic axis

in the rectangular coordinate system (x,y).

This system of coordinates is then transformed into a primed

rectangular reference frame (x',y') for which the crystal-

lographic axis of rotation is the x'-axis, and whose origin

is the point at which the crystallographic axis intercepts

the y-axis, (* see Figure 10). The equations relating

R >y R ) (

the transformation of points from the (x,y) coordinate

46
Figure 8. Representative area of a (100) FCC crystal face
rotated about <110> in either a positive or
negative sense.

47
 30° ^
Figure 9. Representative area of the (100) face of an FCC
crystal rotated in a positive sense about the
<IlO> direction.

48
 ROTATION
GEOMETRY

Figure 10. Rotation geometry for a (100) face of an FCC

crystal about an arbitrary crys tallographic
direction.

49
system to the (x',y') coordinate system are:

x 1
= R cos (6 - <{>) -
D sin
(y K <p + x n cos <J>) ,
K

y' = R sin (6 - <j>) + (x sin <j>

-
y R cos <j>) .
R

2 2 1^ 2
where R = (x + y )

6 = arctan (y/x)

and <j> is the angle that the crystallographic axis makes

with the x-axis. If the system is rotated through an angle

a about the x'-axis, distances to any point (x',y') appear

to be shortened by an amount cos a in the y' dimension,

leaving the x' dimension unchanged. Also, if the atom whose

projected position lies at (x',y r

) before rotation is an

atom whose actual position is R units below the plane being

a

rotated, then its new apparent position on a plane perpen-

dicular to the direction of incidence after rotation is

given by the doordinates (x',y' cos a - R sin a). In

a
general then the final transformation equations become:

x' = R cos (6 - 4>) -

(y R sin 4>
+ * cos <J>)
R ,

y' = (R sin (9 - <j>) + (x n sin -

yn cos <J>)) cos a - R sin a .

k <J>
k a

The geometry implicit in these calculations is shown in

Figure 10.

The actual calculation of the distribution of impact

parameters is performed as follows. A mathematically con-

structed, rectangular grid is placed over the area and

points which lie within the representative area are

50
systematically chosen. Using the transformation equations

and the known position of the atoms in the representative

area, the distance from the points chosen in the area to

each respective atom are calculated in (x',y') coordinates

and the shortest' distance is chosen. The shortest impact

parameter is tallied against the atom with which it is

associated, in an array. In the case of equal distances

between two atoms, the atom with which the ion impacts is

chosen by a uniformly distributed pseudorandom process [17].

The final array contains the distribution of all impact

parameters tallied with each atom in the representative

area. To obtain the final distribution of impact parameters

for the crystal face, the individual distributions are

weighted, added, and the area under the curve is normalized

to unity. The number of points used in calculating these

distributions are on the order of 100,000 per representative

area. The final unnormalized distribution of impact parame-

ters for (100) FCC crystals for various angles of rotation

is shown in Figure 11. Note that all dimensions used in

calculating these distributions are in terms of R Q ,

the

nearest neighbor distance in the crystal lattice.

51
Figure 11. Unnormalized distribution of impact parameters
for FCC (100) rotated through various angles
about <IlO>.

52
 VI. NUMERICAL METHODS AND COMPUTER PROGRAMS

The theory presented in the preceding chapters has been

incorporated into five FORTRAN IV computer programs which

are presented in the appendix to this thesis. They appear

in the order of their use. Specifically, these programs

are

1. The Herman-Skillman radial-electron density program,

2. The Harrison potential program,

3. Distribution of impact parameters program,

4. Numerical interpolation program, and

5. The Harrison KSE program.

To calculate the coefficient of ion-electron emission

(SEE coefficient), these programs are utilized in the fol-

lowing manner. The ion-atom-radial-electron densities are

calculated using the Herman-Skillman computer program [16].

These densities are put into the Harrison potential program

which calculates the interatomic potential, V(r), used in

the calculation of the inelastic energy transfer, E

Tp p.
The distribution of impact parameters program calculates

the distribution of impact parameters for each crystal face

under investigation.. Since this is a statistical process,

the distributions recovered from this program are "smoothed"

using a first and tenth degree Legendre orthogonal least

squares interpolating polynomial, which is generated by

the numerical interpolation program [18], Finally the

53
smoothed distribution of impact parameters and potential

function are inserted into the Harrison KSE program which

has been modified to include all the changes to the original

theory presented in the "Modifications" chapter of this

thesis. This program performs the actual calculation of

the SEE coefficient using the HCM model. The input data

format to each of these programs is shown in Figures 12

through 16. The definitions of the input variables used

in the programs are presented in Appendix A to this thesis.

The results presented in the following chapter were run on

the Naval Postgraduate School IBM/360 Computer System.

54
 Data Input for the
Electron Density Program

KEY ,TCL,1 HR1.SH MESH, IPRATT, MAXIT NOCOPY, KUT

, ,

LHEADER CARD

Figure 12. Deck setup for running the Electron Density

Program.

55
 Data Input for the
Potential Program

ELECTRON DENSITY PROGRAM - OUTPUT ATOM A

HEADER CARD

/
L
INUC,KSTEP,AZ, AI, DZ, BI,DM,RM,RTEST,DD,FRR,DRS IPN
,

Figure 13. Deck setup for running the Potential Program

56
 ICODE , XR , YR , ALPHA, RtiAX
/
A6(I,J)

/
/
A5(I, J)

SCALEF,RNA,RCL

LARGE

ICODE,A,B,INUMBR

CHAR
L

Data Input for the

Impact Parameters
Program

Figure 14. Deck setup for running the Distribution of

Impact Parameters Program.

57
 OUTPUT FROM THE DISTRIBUTION OF

/ IMPACT PARAMETERS PROGRAM

HEADER CARD WITH 48 CHARACTERS OF

INFORMATION

HEADER CARD WITH 48 CHARACTERS OF INFORMATION

NPOINT, IF LAG

Data Input for the

interpolation
Program

Figure 15. Deck setup for running the Interpolation Program,

58
 Data Input for the
KSE Program

/ ZB,ZT,BMAS,TMAS,EOS KEOM AO, LSKIP,

1

/ NM,RES,DRE,REM,IH2

r PSE(I),FIT(I)

/ JFIT

/"" I = 1,10)

""• I = 11,18)

/
/
/ OUTPUT FROM POTENTIAL PROGRAM

/ HEADER CARD

/
/ -==r -='~ —
/
f
FLP( I)... SMOOTHED DISTRIBUTION OF IMPACT PARAMETERS FOR
(100), (110), (111)

Figure 16. Deck setup for running the KSE Program

59
 VII. RESULTS

Three separate cases of secondary electron emission

were investigated using the modified HCM model. These were:

1. Angularly dependent secondary electron emission

from the (100) face of a copper single crystal
rotated about a <110> axis;

2. Secondary electron emission from Ar Ne, Kr and

,

Xe ions normally incident on the (100) (110) ,

and (111) faces of Cu, Ag, Mo, and Al single

crystals; and

3. Secondary electron emission from Ar and Ne ions

normally incident on the (100), (110) and (111)
faces of KC1.

In the HCM theoretical model, the primary ion is assumed

to be neutralized before it strikes the target surface. The

target atoms in the metal are assumed to be ion cores in a

sea of valence electrons. For these reasons, the actual

results presented here are obtained by modeling the binary

collision process as a collision between a neutral, inert

gas atom and an ion core of the target atom. In the cases

of copper and silver, the ion cores are fairly well defined,

since both appear in column I.B. of the periodic table.

However, in the cases of molybdenum and aluminum which

appear in the VI. B. and III. A. columns of the periodic

table, respectively, there are several possible ion core

configurations that could be used in the HCM model. For

this reason, various degrees of ionization of the molybdenum

and aluminum target atoms were used in computing the SEE

coefficient for these target atoms by way of the HCM model.

60
In the cases of copper and silver, results indicate

that the best ion core configuration for both target

materials is the singly ionized state. Note that all graph

titles refer to the HCM model used, whereas the figure

captions indicate the physical system actually investigated.

A. ANGULARLY DEPENDENT RESULTS

The results obtained from the bombardment of Cu single

crystals by Ar ions for various angles of rotation about

the <110> crystallographic axis are shown in Figure 17.

It is interesting that the HCM model did not predict the

correct behavior of the SEE coefficient for monocrystalline

angularly rotated targets, but did accurately reproduce the

results obtained for polycrystalline targets [19]. This

seems to indicate that the single collision model is not an

accurate one for arbitrary rotations about the crystallo-

graphic axis, but needs to be modified to account for a more

complicated interaction with the crystal lattice.

B. METAL TARGET RESULTS

An attempt was made in this thesis to verify those

calculations performed by HCM in their original paper. Not

too surprisingly, the results obtained here differ appre-

ciably from those obtained by HCM using their original

model. Each system is discussed in detail below.

1 . Copper Bombarded by Ar , Ne , Kr and Xe Ions

+
In HCM's original paper, the Ar - Cu system was

treated in detail. Using their original model, they

61
 3
Ar+ -Cu
A (100)
sec0

LU

y
u_
LlI

o
u
LU
LU

0° 10° 20° 30° 40°

ANGLE OF ROTATION (Deg.)
Figure 17. SEE coefficient vs. angle of rotation for (100)
FCC Copper crystal. Direction of rotation was
about <110>.

62
obtained the results shown in Figure 7, which show excellent

agreement with experiment. After altering their model,

using the modifications presented in Chapter IV, the results

do not agree so well with experiment as did those obtained

by HCM. (See Figures 18 through 21.)

In an attempt to explain this discrepancy, the

difference between the experimentally observed SEE coefficient

and that obtained here was plotted as a function of energy.

Theoretically, if the results obtained in this present in-

vestigation are to be physically meaningful, this difference

must be due to the potential ejection mechanism operating at

higher energies. Experimentally, Medvcl et al . [1] have

ascertained that for Ar bombardment of polycrystalline Mo

targets, the potential ejection mechanism is still operating

at energies up to 2.5 Kev, and the PSE contribution is still

tending to increase with increasing energy. If this is in

fact the case, the results obtained here have physical

significance. (See Figures 22 through 25.)

It is interesting to note that the PSE contribution

from all three faces investigated exhibit similar behavior

in that they all peak at approximately the same energy, and

tend to decrease at higher energies. The exact location of

the peak, however, varies with the primary ion type. Further-

more, in all four primary ion cases, the PSE contribution

curves for the (100) and (110) faces cross at approximately

seven to nine Kev, indicating that the PSE mechanism may

be somewhat independent of ion type, while showing some

63
 1.0 1 1 1 1 I I 1 1 1

.9 - Ar°-Cu +
m (111) El/
.8 - A (100) /
/
O (110)
K7
>

- -

u s
U-.5 -
yS T\

/ A

o4 — /
A/
y' —

U El /
A
^s^>°
a3 / V ©^
G^
H I Ay> -

A///
_
.1

111!
123456789 10 ! ! I 1 I

ENERGY(Kev)
Figure 18. Cu bombarded by Ar ions normally incident on
the (100), (110) and (111) planes.

64
 T
.9 1 1 i I 1 1 1 1

Ne°-Cu +
.8 " 13(111)
A (100) /
.7 ~
0(110) /

- /
fe-6
UJ
A /'
u_ A /
/A / o
Hi .4
O A /° O >

u3 H A 0/
UJ A ©
a © /
mBS
4»

.1

ii-ii
1 23456789
ENERGY(Kev)
10
1 I
t t
I

Figure 19. Cu bombarded by Ne ions normally incident on

the (100), (110) and (111) faces.

65
 .... ......
,,, 1
r ! , 1 1 1

1.1 ' []

+
10 . Kr°-Cu

.9
||| E /
E
z:
uJ.7h
H

lZ-
6
E
LU.5 A/
O E
A
A y^

LU
A
LJJ3 Q A/
A
.2 A /

.1
1 oJ>
\

1 23456789
f

ENERGY
I

10
I t t I

(Kev)
t r

+
Figure 20. Cu bombarded by Kr ions normally incident on
the (100), (110) and (111) faces.

66
 1
T 1 1 1 1 1 1
r
.8
+
Xe°-Cu dl

.7- (111)
A (100)
.6- O (1 1 0)

1 23456789
ENERGY (Kev)
10
» t

Figure 21. Cu bombarded by Xe ions normally incident on

the (100), (110) and (111) faces.

67
 I I II | I 1 1 I

+
Ar° -Cu

2 / \ (111)
O
h-
mm
/

DQ

h-
a /\ioor\
z
O .1
(iioN\ V
(J
LU
tO

1
f!!!!!!!
23456789 10
ENERGY (Kev)
Figure 22. PSE contribution to secondary electron emission
for the Ar - Cu system.

68
 4 t
1 1
r- 1 1 1
r~ —
+
Ne°-Cu

O .3
h-

.2

O
u
LU

a- .1

J I I I ! 1 1 ! L

1 2 3 4 5 6 7 8 910
ENERGY (Kev)
Figure 23. PSE contribution to secondary electron emission
for the Ne - Cu system.

69
 t
1
r t 1 1
——i
r
.4
+
Kr°-Cu

z3
O
i—
Z)
DQ

z
O
u
LjJ

Q_ J

1 23456789
T T

ENERGY
10
T T T t

(Kev)
! T

Figure 24. PSE contribution to secondary electron emission

for the Kr - Cu system.

70
 4 T 1 1 1 1 1 1 1 r

Xe°-Cu

z3
O
h-

m
£2
z
O
u
Q_ .1

1 23456789
i I

ENERGY
10
t t r i

(Kev)
i l

Figure 25. PSE contribution to secondary electron emission

for the Xe - Cu system.

71
dependence on the plane being bombarded. Such a crossing

behavior in the PSE contribution as a function of energy

would not be expected simply by analyzing the SEE coefficient

curves, since these curves do not cross at any energy. If

this is the case, then it would follow that the theoretical

results obtained for each crystal face should be indepen-

dently fitted to the experimental data, without regard to

the other planes being bombarded. In most cases this would

yield results that are in closer agreement with experiment

and yet do not eliminate the PSE contribution to secondary

electron emission entirely.

2. Silver Bombarded by Ar , Ne , and Kr Ions

The silver systems also indicate the possibility

of the PSE mechanism being dependent on the crystal face

being bombarded as well as the primary ion type. (See

Figures 26 through 31.)

In the Ar - Ag system the PSE contribution to

secondary electron emission is initially largest for the

(100) face, followed by the (111) and (110) faces, respec-

tively. In all three cases the PSE contribution decreases

slightly at higher energies.

In the Kr - Ag system a different ordering of

facial PSE contributions appear. Initially, the (111)

face contributes the most to potential emission, followed

by the (100) and (110) faces, in that order. At higher

energies, the ordering changes, with (100) contributing

the largest amount to PSE, followed by (111) and (110),

72
 I I I I I 1

.7
1 1

Ar^Ag + []

.6
(111)
A (100) /\a
.5
- o(110)
h-
z /
H

ty.4 /
u
Ll
Ll q - /
Q

^/^
/^
LU /
[3

/A -

C)

O ^A >^
°P
LU'^
r &S
LU
10 A//
.1
-
1^^ *~

III!
1 23456789
ENERGY
1 !

(Kev)
! 1 !

10

Figure 26. Ag bombarded by Ar ions normally incident on the

(100), (110) and (111) faces.

73
 1.4
+
1.3 NE- AG
12 1-
(111)
1.1
A (100)
0(110)
h-10h
uj.9
y.8
x
Ll
u e-
O
U.5
ttM»-
^.3

1 234 56789 10
ENERGY (Kev)
Figure 27. Ag bombarded by Ne ions normally incident on the
(100), (110) and (111) faces.

74
 30 I I I I i I I i I

+
Kr°-Ag
: m (111) / ».

A (100) M
O (110)
M
UJ
A\
y
Ll
Ll A// o
UJ
Gy A/ o .^
o
u .10 A, -

LU /
UJ A 0/
m
-

iiit ! ! I !
f

1 2 3 4 5 6 7 8 910
ENERGY(Kev)
Figure 28. Ag bombarded by Kr ions normally incident on the
(100), (110) and (111) faces.

75
 1
t 1 1 1 1 1 1
r
.15
+
Ar°-Ag

10
O
3
05
O
u
HI

-.05 J

1 23456789
1 1 ?

ENERGY (KEV)
1 1 ! I L

10

Figure 29. PSE contribution to secondary electron emission

for the Ar - Ag system.

76
 A t i r~ i i i i i r

+
Ne°-Ag

z .3
O
H
3
DO
01
\- 2
•<

z
O
O
UJ
(/)
CL .1

1 23456789
I I

ENERGY
10
! I L

(Kev)
J L

Figure 30. PSE contribution to secondary electron emission

for the Ne - Ag system.

11
 T r
1.0 1 1 1 1 1 1 1

Kr°-Ag'
.09

.08

O.07f-

§06
cz
05
OD4

Q_
02
.01

1 23456789
L

ENERGY
J I L

(Kev)
J L

10

Figure 31. PSE contribution to secondary electron emission

for the Kr - Ag system.

78
respectively. Once again, the PSE contribution tends to

decrease at higher energies.

In the Ne - Ag system an entirely different picture

arises. For all energies, the (110) face contributes the

most to PSE, followed by the (111) and (100) faces,

respectively. However, even at ten Kev, the potential

emission for the (110) face is still rising whereas, over

the entire energy range, the PSE contribution from the

(111) and (100) face remains fairly constant. These results

would seem to indicate, once again, that not only is poten-

tial emission dependent on primary ion type, but also on

crystal face.

In the Ar - Ag system, the PSE contribution from

the (111) face goes to a negative value at seven Kev. The

reason for this behavior can be found by analyzing the

Ar - Ag SEE coefficient versus energy curves shown in

Figure 26. The SEE coefficient experimental data for the

(111) face dips downward at seven Kev. This behavior is

not demonstrated on the other faces and would tend to indi-

cate that some experimental variation may be present in

these experimental data. On the other hand, the interaction

being modeled may be sufficiently complicated that the

potential contribution cannot be separated simply by scaling

the results. No other system investigated displays similar

results.

79
 3. Molybdenum Bombarded by Ar , Ne , Kr and Xe Ions

In Figures 32 through 43, Mo initially seems to

be the ion core model that best represents secondary electron

emission from various target faces. This conclusion holds

true for the Ne - Mo and Kr - Mo systems. However, for

the Xe - Mo system, the best ion core model is not Mo but

Mo . This would seem to indicate that the primary ion

type plays an important role in secondary electron emission.

4. Aluminum Bombarded by Ar , Kr , and Xe Ions

In the case of aluminum bombarded by Ar (Figures 44

through 52) the Al and Al ion core models for the target

atoms yielded results that were almost identical. This

system is contrasted with the Kr - Al system which shows a

distinct preference for Al as the ion core model, with the

Al and Al yielding similar and uniformly poor results.

Similarly, the Xe - Al system shows the same preference

for the Al ion core model and demonstrates a poorer fit

when the Al and Al models are used. When all cases are

considered, it would seem that secondary electron emission

is sensitive to the primary ion type, as has been demonstrated

by previous results.

C. ALKALI-HALIDE RESULTS

Experimental results for the bombardment of alkali-

halide single crystals by inert gas ions have been obtained

from experiments by Baboux and Pedrix [21, 22]. Two cases

are considered in this present investigation. These include

80
 .6

Ar^Mo
.5
O (110)

Z4
LU'

y Mo++
Mo++++
LlJ Mo
O
u
Lli-2

.1-

234 56789 L
J I I I » T 1 !

1 10
ENERGY
(Kev)
Figure 32. Effect of varying target atom ionization in the'
HCM mo<jlel on secondary electron emission from
the Ar - Mo system.

81
 i r i i i i r
.6

Ar+-Mo []

(111)
.5

Z4 EJ

LU'

y
Ll .3
LU
o
(J Mo H

LU -2
LjJ
</) Mo+
.1

1 23456789
I L

ENERGY
10
J ! J

(Kev)
i l

Figure 33. Effect of varying target atom ionization in the

HCM mo^el on secondary electron emission from
the Ar - Mo system.

82
 i
1 1 1
r 1 1
T
.6

Ar +-Mo
.5 A (100)
A
h-
z4
y
U_.3
LU
O McT"
u
LU-2
LU

.1-

1 23456789
|
I

ENERGY
10
1
|
?
|

(Kev)
T ?

• »

Figure 34. Effect of varying target atom ionization in the

HCM model on secondary electron emission in the
Ar - Mo system. ,

83
 1
i
1
r
1.0

.91-
Ne+ -Mo
(110)
.8

Mo ++
Mo+H
Li- K
lxl

0.4
U
LU'

.2

.1

I ! » 1 I
l J L

1 2 3 4 5 6 7 8 910
ENERGY (Kev)
Figure 35. Effect on varying target atom ionization in the
HCM model on secondary electron emission from
the Ne - Mo system.

84
 -"
I I I 1 "T~ 1 1 1 I

1.0

.9
. Ne+ -Mo
A (100)
L\
.8
A
A
K7 -

A
A -

- -
|.6 A

-
Ll-°
LlI a y/ Mo***
8-4
Mo"
A /J/
LU o -
L_W
CO
.2

-
.1

lilt
234 56789 10
t f !
! !

ENERGY(Kev)
Figure 36. Effect of varying target atom ionization in the
HCM mo^lel on secondary electron emission from
» . the Ne - Mo system.

85
 1.U
i i I I 1 III.
.9
Ne+ -Mo _

(111)
.8 []

E
1-7
z [D

LU^
— .o -

u c]

Ll'°
^^^^ -

LlI

0.4 -
yS
\Mow -

(J \Mo
vMo
++
+
LU3 -

(I)

2 - -

.1

234 56789 10
i ! 1 f
l f » 1

ENERGY(Kev)
Figure 37. Effect of varying target atom ionization in the
HCM mocjel on secondary electron emission from
the Ne - Mo system.

86
 t 1 1 1 1 i 1 r

+
Kr -Mo
.3 (110)

UJ

y .21-

U_ Mo
Ll
UJ
Mo
8
LU
UJ .1

</)

1 23456789
I 1

ENERGY(Kev)
I

10
I I ! I L

Figure 38. Effect of varying target atom ionization in

the HCM mode.1 on secondary electron emission
from the Kr - Mo system.

87
 1 1
r t
1 1
r
.35 l

+
Kr -Mo
(111)

H.25 []

z
LlJ

y Mo+ -

Ll Mo*
LlJ.15 McT
O
u
LlI
bJ
to

.05

J I 1 I I L J L

1 2 3 4 5 6 7 8 910
ENERGY(Kev)
Figure 39. Effect of varying target atom ionization in the
HCM mocjel on secondary electron emission from
the Kr - Mo system.

88
 35 i i r t r

Kr+ -Mo
A (100)

h25
z
LU
(J
Ll
U_

u Mo++
UJ Mo++++
LU
Mo
.05

J I I I I I I I L

1 2 3 4 5 6 7 8 910
ENERGY(Kev)
Figure 40. Effect of varying target atom ionization in
the HCM '-ode.1 on secondary electron emission
from tii. Kr - Mo system.
 1
i
1
r i i i r

Xe+-Mo
3 (110)

h-

UJ

U.2h
Ll
Ll Md+
LjJ Mo -

O
u
Md
LjJ J"

1 234 56789
ENERGY(Kev)
10
Figure 41. Effect of varying target atom ionization in
the HCM mod^l on secondary electron emission
from the Xe - Mo system.

90
til .10
En

1 2 3 4 5 6 7 8 910
ENERGY(Kev)
Figure 42. Effect of varying target atom ionization in
the HCM mod^l on secondary electron emission
from the Xe - Mo system.

91
 .35 I I I I I 1 1 1 1

Xe+ -Mo
-30- (100) B

25 - -
B
LU

M.20 - Q f
-

Ll
LlI
- H
/ /

p B
//
LlI
LU..10
(f)
B
B
//
.05- B
^^^^
/'A^ Mo+++ _

B ^^^ Mo
-.. i

1 23456789
i

ENERGY(Kev)
t i i i t i i

10

Figure 43. Effect of varying target atom ionization in the

HCM mocjel on secondary electron emission from
the Xe - Mo system.

92
 1 1 1 I I I I 1

-+
Ai ~AI
,3
. (111)
9/

+ —w/
Z Al H
UJ Z-ptf*
U.2 E) /( -

Ll
Ll
LlI
Q /
o
U
L±J , —
UJ .1
-
/
I/)
[ a /
-

12 34
l !

56789
f

ENERGY(Kev)
10
1 ! 1 1 1

Figure 44. Effect of varying target atom ionization in the

HCM motjlel on secondary electron emission from
the Ar - Al system.

93
 I I I 1 1 i 1 1 1

Ar+ -AI
.3 - A (100)

UJ
A
A
Ll
A .
Ll A
LlI

O A
^I +
u A & -v
++
LU ,
Al
UJ A -

w .1

A
A y^
-"""""
A

1
1

234
!

56789
ENERGY(Kev)
1

10
1
i
! !
j i

Figure 45. Effect of varying target atom ionization in the

model on secondary electron emission from the
HCfjl
Ar - Al system.

94
 i
1
-i 1
i
1 1 1
r

Ar+ -A!
.3- O (110)

UJ
u. 2L C)

o
1_L
UJ o
o
u
LU
LU 1U '

(f)

o
©-

1 23456789
1

ENERGY(Kev)
1

10
! I 1 I I L

Figure 46. Effect of varying target atom ionization in the

HCM mocjel on secondary electron emission from
the Ar - Al system.

95
 I I 1 1 1 I 1 I

Kr+ -AI
.3 (111)
/Q /

k / H /
z
OJ
/ H yy

y.2 /

Ll
Ll Ai^y^ ] ytf

LlI

o /
u
1 • 1
/-Al
+

LU .1 J—M*" -

1 23456789
J !

ENERGY(Kev)
! I ! ! ! 1

10

Figure 47. Effect of varying target atom ionization in the

HCM mo^el on secondary electron emission from
the Kr - Al system.

96
 1 1 1
t r t 1
r

Kr+ -AI
.3 0(110)

Li. o
Ll
LU
O
U
LU ,
LU .1

1 23456789
I L

ENERGY(Kev)
10
J L J L

Figure 48. Effect of varying target atom ionization in the

HCM mocjel on secondary electron emission from
the Kr - Al system.

97
 1 1
i i i i
1 1
r

Kr + -AI
.3 A (100)

LU
i\

I2
l_L
UJ
o
U
LU
LU 1

1 23456789
I

ENERGY(Kev)
I

10
? I 1 1 L

Figure 49. Effect of varying target atom ionization in the

HCM mocjlel on secondary electron emission from
the Kr - Al system.

98
 .3
I I I I i 1 r
—t r—

Xe+ -AI
. 13(111)

z.2h
yj
y Ar*-
Ll
u_
UJ
O -Al^
u _ /
H
£« +
UJ
.1
-Al ~

LU / Q
(f)

-
/ h y
/ Q ^^
tiii
Q **=r

! t i 1 1

1 2 3 4 5 6 7 8 910
ENERGY(Kev)
Figure 50. Effect of varying target atom ionization in the'
HCM mo^el on secondary electron emission from
the Xe - Al system.

99
 .J i i I I 1 I 1 I 1

+
Xe - Al
©(110)

f-
z 2
LU*

(J
Ll
Ll
LU
\
O ()

u
LlI
LU
.1
Al \ ^7-
/
y<^>
LO -

Aitr^CX/
>^o J£^

QS

1
!!!!!!!
23456789 10
!

ENERGY(Kev)
Figure 51. Effect of varying target atom ionization in the
HCM mocjel on secondary electron emission from
the Xe - Al system.

100
 3 t r t 1 1 r

Xe+ -AI
A (100)

^
LlI
2
-^

o
1_L
LU
O
<J
LU 1
UJ

1234 56789
ENERGY(Kev)
10
Figure 52. Effect of varying target atom ionization in the
HCM mocjel on secondary electron emission from
the Xe - Al system.

101
the bombardment of potassium chloride by argon and neon

ions normally incident on the (100) , (110) and (111) faces

of the single crystal. These two cases are discussed in

detail below.

1. Potassium-Chloride Bombarded by Ar Ions

The calculations of the SEE coefficient for alkali

halide single crystals present a theoretical problem

that was not addressed when the metal target results

were presented. Specifically, the alkali-halide crystals

in question have lattice structures comprised of two dif-

ferent atoms arranged in a similar fashion, but displaced

in space by a distance (1/2, 1/2, 1/2). Because of this,

the standard FCC distribution of impact parameters does

not work in the alkali-halide case and must be replaced

by a distribution representative of the normal impact

of an ion with the target surface. The representative

areas and distribution of impact parameters are chosen

in a manner similar to that for the metal case, but are

weighted to include preferential impact with the larger

of the two ion cores in the lattice. The representative

areas and distribution of impact parameters are shown in

Figures 53 through 57.

The results for KC1 bombarded by Ar are shown in

Figure 58. Experimentally, it was found that the SEE

102
 REPRESENTATIVE AREA
KCI (100)

( (
V/^
I \ * k/
\ X XX(///vy\
-^
J
""^v/ X^" ** s/

1 Y//V//A *
1 )K^>^ 1

/
/y///\ i
1

/////A l j

D CI atoms
^ K atoms

Figure 53. Representative area KCI (100)

103
 REPRESENTATIVE AREA
KCI (110)

CI atoms
K atoms

Figure 54. Representative area KCI (110)

104
 REPRESENTATIVE AREA
KCI (111)

CI atoms
K atoms

Figure 55. Representative area KCI (111).

105
>- 4 T i 1
-1
1 1 j j r

KCI:K
Z Distribution
LU
Q

.1 .2 .3 .4 .5 .6 .7 .8 .9 1.0
IMPACT PARAMETER
(Ro units)
Figure 56. Potassium distribution of impact parameters
in KC1.

106
 .1 .2 .3 A
7 .8 -9 .5 .6 1.0
IMPACT PARAMETER
(Ro units)
Figure 57. Chlorine distribution of impact parameters in
KC1.

107
 15
i i i i i i i i i i i i i r i — i "v f —
i

"
Ar-KCI
-
0(110) « -

.
^ (111)
(100)
m
y
£?'
/C- -

10 // *P*
LlJ

y
/jy/^ y
-

Ll / //
//
,S (W
Ll
/
/q
o /y ^y <T

LU / j<

o // /V
/ SY s/ _

u 5 /

lu
LlI
//// :

/'//
-H \

//
* (100) All CI Approximation
(100) All K Approximation -
i i i i i i i i i i i i i i i i i i i

5 10 15 20
ENERGY (Kev)
Figure 58. SEE coefficient as a. function of energy for
KC1 bombarded by Ar ions.

108
coefficient for the (100) face crossed that of the (110)

face in the five to six Kev region. This behavior, as

well as that for the (111) and (110) faces, is predicted

by the HCM modified model. A PSE contribution is evident but

has not been investigated.

2. Potassium-Chloride Bombarded by Ne Ions

In the case of KC1 bombarded by Ne , the HCM

modified model predicts a crossing of the (100) and (110)

surfaces' SEE coefficients as a function of energy at

approximately five Kev. Such a behavior is not confirmed

experimentally.

In an attempt to explain this anomaly, two theories

arose. First, such a behavior can be explained, if the KC1

crystal tends to cleave on the (100) face with all the

chlorine or potassium atoms up. Second, the crossing be-

havior might be due to preferential sputtering by the primary

ion of one of the two types of atoms comprising the (100)

face, leaving a surface that contains either all potassiums

or all chlorines.

In the first case, the crystal structure of the (100)

face should be the same for both Ar and Ne bombardment,

as long as preferential sputtering does not occur. Hence,

SEE from this face should be due to the bombardment of

either pure chlorine or pure potassium, whichever is left

in the "up" position.

In the second case, however, preferential sputtering

of chlorine atoms by Ar is the case most likely to occur,

109
since both the ion and target atom are of comparable mass.

In this situation, preferential sputtering would affect the

Ar - KC1 system more than it would the Ne - KC1 system.

Since the Ar - KC1 system's SEE coefficient as a function

of energy is accurately predicted for all surfaces examined,

it appears that sputtering is not directly responsible for

the results that are obtained from either system.

The effect of an all-potassium or all-chlorine

approximation to the KC1 (100) surface on the SEE coefficient

as a function of energy and primary ion type is shown graphi-

cally in Figures 58 and 59.

110
 IU i i i i i i i i i i i i i i i
\JA i r~

Ne-KCI 7, x x
9
0(110)
8 - 0(111)
A (100) f
/ /
H- 7 /
/
/
/ /\r\)^s^
z /
/
// /y
/ / //
^6 /
/
/

/
/ /
/
/ y X A
y / // yr
A
Ll
/ //
pr
>'

UJ
'
/ A
04 f
/
/
/ 1
1 if
// -

U
uj
UJ
3 - y/A
/ / // —

^ ^
///
///
"
2
_
A (100) All CI Approximation.
1
(100) All K Approximation

i i i i i i i i y i t i i i i i i t

5 10 15 20
ENERGY (Kev)
Figure 59. SEE coefficients a function of energy for KC1
bombarded by Ne ions.

Ill
 VIII. CONCLUSIONS AND RECOMMENDATIONS

This thesis has attempted to predict the behavior of the

coefficient of ion electron emission for various primary ion-

target combinations using the Harrison, Carlston and Magnuson

theory of secondary electron emission. Three aspects of

secondary electron emission were investigated, including

angularly dependent secondary electron emission from the

(100) face of a copper single crystal rotated about <110>,

secondary electron emission from Ar, Ne, Kr and Xe ions nor-

mally incident on the (100), (110) and (111) faces of Cu, Ag,

Mo and Al single crystals, and secondary electron emission

from Ar and Ne ions normally incident on the (100) , (110) and

(111) faces of KC1.

According to the HCM theory, angularly dependent results

do not demonstrate the non-monotonic dependence on the angle

of incidence found experimentally. Even so, the HCM theory

does accurately model the dependence of the SEE coefficient

of angle of incidence for inert gas ions normally incident on

a polycrystalline metal surface. For this reason, it appears

that the single collision model is not sophisticated enough

and further modification must be made to it, if secondary

electron emission from rotated, single-crystal faces is to be

predicted.

In the case of metal targets bombarded by inert gas

ions, it was found that the SEE coefficient as a function of

energy, predicted by the modified HCM movel, deviated from

that experimentally obtained. This was contrasted with the

results obtained using HCM's original model which yielded

112
reasonable results in almost all cases investigated. Since

the modifications presented here were refinements to the

original HCM model, it was hoped the results obtained would

more accurately represent the secondary electron mechanism.

For this reason, the difference between the SEE coefficient

obtained here and the experimental result was identified as

the potential secondary electron emission component operating

at higher energies. Such a hypothesis is substantiated by

experiment [1]. Analysis showed that the potential component

in general rose to a peak and then decreased at higher energies.

Furthermore, this component of secondary emission seemed to

demonstrate behavior that could possibly be attributed to

primary ion type as well as the face of the crystal being

bombarded. The reason for this behavior was not positively

identified, but the PSE process appears to be more complicated

than was originally thought.

In the case of potassium-chloride bombarded by Ar ions,

the HCM model fairly accurately predicted the SEE coefficient

in the zero to 20 Kev energy range for all faces examined.

On the other hand, potassium-chloride bombarded by Ne ions

demonstrated a crossing of the SEE coefficient for the (100)

and (110) faces as a function of energy which was not predicted

experimentally. Two hypotheses were proposed that might pos-

sibly explain this behavior. The first hypothesis proposes

that KC1 cleaves with either all the potassium atoms or all

the chlorine atoms up, essentially presenting a uniform

layer of pure potassium or chlorine to the bombarding ion

113
beam. This hypothesis slightly improved the SEE

coefficient for the Ne KC1 (100) surface, but adversely

affected the results obtained for the Ar - KC1 system.

The second hypothesis assumes that the (100) surface of KC1

might demonstrate preferential sputtering. However, if

this were the case, preferential sputtering should have been

most evident in the Ar - KC1 system, because of the compara-

ble mass of Ar and CI. Since this system demonstrated the

correct behavior without invoking the preferential sputter-

ing assumption, it was surmised that preferential sputtering

did not play an important role in the SEE process from the

KC1 (100) surface.

In all cases tested in the present investigation, the

SEE coefficient as a function of energy tended to become a

better approximation to the experimental results at higher

energies. For this reason, it is recommended that primary

ion- target atom combinations be run for primary ion energies

between ten and 20 Kev. If in fact the potential component

of secondary electron emission is real in this energy range,

it should reach some constant value as primary ion energy

is increased. Furthermore, because results obtained using

the modified HCM model are dependent on the ion core configu-

ration of the target atoms, it is recommended that more

work be done in testing the influence of ion-target atom

core ionization on secondary electron emission. Typically,

for secondary electron emission from elements such as Cu

and Ag, which appear in column I of the periodic table, the

114
ion core electron configuration is uniquely determined by

considerations of the atomic valence, but the effect of the

electronic structure of the ion core upon KSE for Mo and

Al needs more investigation.

115
 APPENDIX A

COMPUTER PROGRAMS

In this appendix, the parameters that appear in the

computer programs are presented and explained. Variables

that appear in the data input as constants are stated as

such. A pictorial representation of how these data are

entered into the programs is shown in Figures 12 - 16.

A. HERMAN SKILLMAN RADIAL ELECTRON DENSITY PROGRAM

CARD NAME FORMAT DESCRIPTION

HEADER CARD - CONTAINS 80 CHARACTERS OF INFORMATION

DESCRIBING THE CASE TO BE RUN

2 KEY (14) SEE Reference ( )

2 TOL (F8.6) 000001
2 THRESH (14) 521
2 MESH (14) 1
2 IPRATT (14) 40
2 MAXIT (14)
2 NOCOPY (14)
2 KUT (14)

3-A s
RU2(I) (IPE15.7, Normalized self -consistent poten-
IP4E14.7) tial as a function of X. Taken
directly from Reference 16. This
is a "starter" for generating the
wavefunctions for the atom under
investigation.

Z (F4.0) Atomic number of atom in question

NCORES (14) No. of shells of atom in question
NVALES (14)
ION (14) Degree of ionization of atom in
question

NNLZ(I) (14) n,l,m quantum no. for shells

WWNL(I) (F4.0) No. electrons in shell
EE(I) (F8.4) Trial eigenvalue for each shell,
taken from Reference 16.

116
B. POTENTIAL PROGRAM

CARD jf NAME FORMAT DESCRIPTION

1 INUC (12)
(12]
1 KSTEP (13) 10
1 AZ (F3.0)
(F3. 0) Atomic no. of the first atom
following the header card below.
AI (F2. 0) Ionization of the first atom
following the header card.
BZ (F3. 0) Atomic no. of the second atom
following the header card.
BI (F2. 0) Ionization of the second atom
following the header card.
1 DM (F2.0)
(F2. 0) 5
1 , RM (F2.0)
(F2. 0) 5
1 RTEST (F2.0)
(F2. 0) 5
1 DD (F5.1)
(F5. 1) .020
1 FRR (F5.1)
(F5. 1) 1.20
1 DRS (F5.1)
(F5. 1) .010
IPN (14)
(14] 1 1

HEADER CARD - CONTAINS 30 CHARACTERS OF INFORMATION

DESCRIBING THE CASE TO BE RUN

OUTPUT FROM ELECTRON DENSITY PROGRAM WITH FIRST

CARD REMOVED CORRESPONDING TO THE ATOM DESCRIBED
BY AZ AND AI ABOVE

OUTPUT FROM ELECTRON DENSITY PROGRAM WITH FIRST

CARD REMOVED CORRESPONDING TO THE ATOM DESCRIBED
BY BZ AND BI ABOVE

C. DISTRIBUTION OF IMPACT PARAMETERS PROGRAM

CARD # NAME FORMAT DESCRIPTION

1 HEADER CARD - 80 CHARACTERS OF INFORMATION

DESCRIBING THE CASE TO BE RUN

2 ICODE (13) 1, if representative area is

a rectangle
2, if representative area is
a triangle
2 A (F10.4) Height of representative area
in Ro units.
2 B (F10.4) Length of representative area
in Ro units.
2 INUMBER (13) No. of atoms in representative
area.

117
C. DISTRIBUTION OF IMPACT PARAMETERS PROGRAM (Continued)

CARD j NAME FORMAT DESCRIPTION

3 LARGE(I) (12) Logical array that indicates if

any particular atom is larger
than the other, i.e., CI in
KC1. 1, yes. 2, no. If yes
the distribution is skewed to
indicate preferential collision
with the larger atom.

4 SCALEF (F10.4) 1.0

4 RNA (F10.4) Ionic radius of smaller of two
atoms
4 RCL (F10.4) Ionic radius of larger of two
atoms- -Both RNA and RCL can
be set to anything if atoms
are both the same size.

5-7 A5(I,J) (3F10.4) An array that contains the

(x,y) vertices of a triangular
representative area in Ro
units. If the area is not tri-
angular, they can be set to
anything.
8-11 A6(I,J) (3F10.4) An array that contains the (x,y,z)
position of atoms in the repre-
sentative area in Ro units. I

runs from 1 to INUMBR, J runs

from 1 to 3.

12 PHI (F10.4) Angle in radians x'-axis makes

with x-axis.
12 XR (F10.4) (x) position of (x',y') origin,
12 YR (F10.4) (y) position of (x',y ) origin.
f

12 ALPHA (F10.4) Angle in radians the representa-

tive area is rotated through.
12 RMAX (F10.4) Maximum impact parameter
expected. The no. 250 is
usually sufficient.

118
D. NUMERICAL INTERPOLATION PROGRAM

CARD NAME FORMAT DESCRIPTION

NPOINT (14) No. points from the distribution

of impact parameters program to
be smoothed.
IFLAG (14) 1, indicates written output only.
2, indicates written output,
card output and graphical
output desired.

2 HEADER CARD - 46 CHARACTERS TO BE OUTPUT WITH GRAPHS

3 HEADER CARD - 46 CHARACTERS TO BE OUTPUT WITH GRAPHS

4 OUTPUT FROM DISTRIBUTION OF IMPACT PARAMETERS PRO-

GRAM WITH ALL "NEW ATOM" CARDS REMOVED

E. KSE PROGRAM

CARD NAME FORMAT DESCRIPTION

1 LCRYST (A4) Crystal type "FCC"/"BCC"

1 LTPE (12) 1
1 BMAX (I) (3F6.4) Maximum impact parameter in Ro
units for each face.
1 PUD(I) (3F6.4) R. for each face in Ro units.

1 ARO ( I (3F6.4) No. atoms per representative

area in Ro units, for each face.
1 LM(I) (313) Total number of points in each
distribution.
1 KM (14) 250
1/2 1/2
1 FACL (F7.4) (2) /4 for FCC, (3) /4 for
BCC.
-A FLP(I) (2014) Distribution of impact parameters
from Interpolation Program.
B IH1 80A1 80 characters of information.

C IH3 19A4 76 characters of information from

first card of output from Potential
Program.
C KMR (14) 250

D APSI(I) 10F8.5 Wave functions from the Potential

program, Atom A.
D BPSI(I) 10F8.5 Wa^e functions from the Potential
program, Atom B.

119
E. KSE PROGRAM (Continued)

CARD I
NAME FORMAT DESCRIPTION

E V(I) 5F12.5 Potential between atoms A and

B from the Potential Program.

F EA(I) 8F8.4 Spectroscopic ionization

potentials, numbers 11 to 18.
F+l I AH 4A4 16 characters of accounting
information.

F+l EA(I) 10F8.4 Spectroscopic ionization

potentials, numbers 1 to 10.
F+2 JFIT 110 No. of values to which results
are fit.
G PSE(I) (F5.3) Y pc,p experimental for curve
being fit.

G FIT(J) (F5.4) y experimental for (111) face

at 10 Kev.

H ZB F4.0 Atomic for atom A.

no.
H ZT F4.0 Atomic for atom B.
No.
H BMAS F8.4 Atomic weight for atom A.
H TMAS F8.4 Atomic weight for atom B.
H EOS F8.0 Energy in Kev at which results
are to start.
H DEO F3.0 Energy step in Kev.
H KEOM F3.0 Energy in Kev at which results
are to end.
H AO F7.3 Lattice constant in angstroms.
H LSKIP 13 1
H NM 13 15
H RES F3.0 50
H DRE F3.0 50
H REM F5.0 5000
H IH2 4A4 Accounting data.

*indicates that the actual card number varies from run to

run and has been replaced by a letter to indicate the
order in which the cards are arranged.

120
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 LIST OF REFERENCES

1. Medved, D. B., Mahadevan, P., and Layton, J. K.

"Potential and Kinetic Electron Ejection from
Molybdenum by Argon Ions and Neutral Atoms,"
Physical Review v. 129, p. 2086-2087, 1 March 1963.
,

2. Harrison, D. E. Jr., Carlston, C. E., Magnuson, G. D.

,

"Kinetic Emission of Electrons from Monocrys talline

Targets," Physical Review v. 139, p. A737-A745,
,

2 August 1968.

3. Carter, G. and Colligon, J. S. Ion Bombardment of Solids

,
,

American Elsevier Publishing Co., Inc., 1968.

4. Parilis, E. S. , and Kishinevskii L. M. "The Theory of , ,

Ion Electron Emission," Soviet Physics - JETP ,

v.3., p. 885-891, October 1960.

5. Firsov, 0. B., "A Qualitative Interpretation of the

Electron Excitation Energy in Atomic Collisions,"
Soviet Physics - JETP v. 36, p. 1076-1080,
,

Novemb or 19 59.

6. Wolff, P. A., "Theory of Secondary Electron Cascade,"

Physical Review v. 95, p. 56, 1954.,

7. Harrower, G. A., " Auger Electron Emission in the Energy

Spectra of Secondary Electrons from Mo and W,"
Physical Review v. 102, p. 340, 1956.
,

8. Torrens , I. M. , Interatomic Potentials, Academic Press,

1972, 247 p.

9. Russek, A. "Ionization Produced by High Energy Atomic

,

Collisions," Physical Review v. 132, p. 246-261, ,

1 October 1963.

10. March, N. H. "The Thomas-Fermi Approximation in Quantum

,

Mechanics," Advances in Physics v. 53, p. 206, 1957. ,

11. Gombas , P., Die Statische Theorie des Atoms und ihre
Anwendungen Springer-Verlag 1952.
, ,

12. Wedepohl, P. T. "Influence of Electron Distribution on

,

Atomic Interaction Potential," Proc Phys Soc . . .

v. 92, p. 79-93, 22 March 1967.

13. Harrison, D. E., "Semiclassical Interaction Potential for

Atoms and Ions," Bull. Am. Phys. Soc II, v. 14, .

p. 315, 1969.

170
14. Wilson, W. D. Bisson, C. L.
, "Inert Gases in Solids: ,

Interatomic Potentials and Their Influence on Rare

Gas Mobility, " Physical Review v. 3, p. 3984, 1971. ,

15. Gunther, K. "Uber die Existenz eines Maximalprinzips

,

als aquivalente Formulierung des Thomas -Fermi

Dirac Modells and das TFD Wechselwirkungspotential
von Atomen," Ann. Physik (7), v. 14, p. 296, 1964.
.

16. Herman, F. and Skillman, S., Atomic Structure Calculations

Prentice-Hall, Inc., 1963.

17. Ralston, A. and Wilf, H. S. , Mathematical Methods for

Digital Computers v. , 2, John Wiley and Sons, p. 249-
263, 1968.

18. Conte, S. D and de Boor, C. Elementary Numerical ,

Analysis, 2d. ed. McGraw-Hill Book Co, 1972.

,

19. Mashkova, E. S. Molchanov, V. A.

, and Odintsov, D. D. ,

"Atnisotropy of the Ion-Electron Emission Coefficient

of Single Crystals," Soviet Physics - Doklady v. 8, ,

p. 806-807, Feb. 1964.

20. Carlston, C. E. , Magnuson, G. D. Mahadevan, P. and ,

Harrison, D. E. Jr., "Electron Ejection from

,

Single Crystals due to 1- to 10- Kev Noble Gas

Ion Bombardment," Physical Review, v. 139, p. A729-
A736, 2 August 1965.

21. Baboux, J. C, Pedrix, M. Goutte, R. and Guillaud, C,

, ,

"Emission Electronique Secondaire d urn Monocristal "

de NaCl Bombarde par des Ions de Gaz Rares,"

J. Phys. Appl. Phys v. 4, p. 1617-1623, 9 June 1971.
. ,

22. Babous , J. C. and Pedrix, M. , unpublished data, private

communication.

171
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1. Defense Documentation Center 2

Cameron Station
Alexandria, Virginia 22314

2. Library, Code 0212 2

Naval Postgraduate School
Monterey, California 93940

3. Professor D. E. Harrison, Codes 61 Hx 5

Department of Physics and Chemistry
Naval Postgraduate School
Monterey, California 93940

4. MM H. Perdrix and J. C. Baboux 1

Institut National des Sciences Appliquees
de Lyon
20 Avenue Albert Einstein
69261 Villeurbanne
Lyon, France

5. Ensign Kristin Lloyd Allen 1

505 Sweeney Road
Virginia Beach, Virginia 23452

172
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[Security classification of title, body of abstract and indexing annotation must be entered when the overall Is classified)
IG activity (Corporate author) Zm. REPORT SECURITY CL.ASSIFIC.
Unclassified
Naval Postgraduate School
2b. CROUP
Monterey, California 93940

Secondary Electron Emission from Monocrystalline Metal and

Alkali-Halide Crystals
iCRIP Tl VE NOTES (Type of report andjnclueive dates)

Master's Thesis; June 1975

THORIS) (First name, middle initial, last name)

Kristin Lloyd Allen

ORT DATE 7a. TOTAL NO. OF PACES >b. NO. OF REI

June 1973 174 22

>NTRACT OR GRANT NO. »«. ORIGINATOR'S REPORT

ItOJEC T NO

STATEMEI

Approved for public release; distribution unlimited

12. SPONSORING
Naval Postgraduate School
Monterey, California 93940

This thesis is a computer simulation of secondar y electron

emission (SEE) from monocrystalline metals and alkal i-halides
using a modified version of the Harrison, Carlston a nd Magnuson
single collision theory of SEE. Three cases of SEE are invesjii-
gated: the angular dependence of SEE from Cu bombar ded by Ar ,

the dependence of SEE as a function of energy for ra re gas

ions normally incident on the (100) (110) and (111) faces of ,

metal single crystals, and the dependence of SEE as a function

of energy for Ar and Ne ions normally incident on the (100),
(110) and (111) faces of KC1. The theory does not a ccurately
describe the angular dependence of SEE for monocryst alline Cu
targets, but does accurately predict the modified se c dependence
found experimentally in polycrys talline studies. Fo r the metal
targets, the difference between the theoretical Line tic secondary
emission result and the experimental datum is identi fied as
potential secondary emission. The alkali-halide SEE simulation
agrees reasonably well with experiment.

c,
F
r:..i473 (page n
UNCLASSIFIED
* 101-607-681 1 Security Clarification
173
 UNCLASSIFIED
Security Classification

, E Y WORDi
(OLE w T

Secondary-

Electron

Emission

Ion

Bombardment

3).'.r..1473 ' B *™: UNCLASSIFIED

I 0101 -807-682 1
174 Security Cl«ssific«tion
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A3778 Allen
cl Secondary electron
emission from monocrystal-
line metal and alkali-
halide crystals.
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