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PHONONS BLOCH-GRUNEISEN FUNCTION AND ITS

APPLICATIONS TO NOBLE METALS RESISTIVITY, PART I

Article in International Journal of Pure and Applied Mathematics · January 2015

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International Journal of Pure and Applied Mathematics
Volume 102 No. 2 2015, 233-245
ISSN: 1311-8080 (printed version); ISSN: 1314-3395 (on-line version)
url: http://www.ijpam.eu
doi: http://dx.doi.org/10.12732/ijpam.v102i2.6
AP
ijpam.eu

PHONONS BLOCH-GRÜNEISEN FUNCTION AND

ITS APPLICATIONS TO NOBLE METALS RESISTIVITY,
PART I

Muhammad A. Al-Jalali1 § , Saif A. Mouhammad2

1,2 Department
of Physics
Faculty of Science
Taif University
Taif, AL-Haweiah, P.O. Box 888, Zip Code 21974, KINGDOM OF SAUDI
ARABIA

Abstract: Internal thermal energy in solids contributes to all kinds of bosons

and fermions energy across very complicated mechanisms. Bloch-Grüneisen
(BG) function is considered a main term which controls in phonons resistivity.
Mathematical treatment had been applied on BG resistivity equation, which
gave a Semi-empirical relationship between integral constant and Debye tem-
perature in noble metals as a function of temperature. Comparison between
theoretical and experimental was examined.

AMS Subject Classification: 62H10, 62P35, 74F05, 74H45, 81V19, 82C10,

82D35, 82D40
Key Words: BG function, Debye functions, Phonons, bosons, fermions

1. Introduction

Bosons mean phonons, magnons or photons, where phonons are a cornerstone

c 2015 Academic Publications, Ltd.
Received: February 10, 2015 url: www.acadpubl.eu
§ Correspondence author
234 M.A. Al-Jalali, S.A. Mouhammad

Figure 1: Mathematical integral graph of equation (1) for small

J(2, 3, 5, x) values (see http://rechneronline.de/function-graphs/)

in solid state physics. They are contributing to thermal and electrical conduc-
tivity, specific heat, melting, and superconductivity, if there are no phonons,
transmission of sound in all materials would be acoustic insulators.
In solid-state physics, phonons BG function J(n, x), see[1]-[4], is defined by:
Zx
et
J(n, x) = tn dt (1)
(et − 1)2
0

Figure 1 and Figure 2 show graphs of BG function J(n, x) for n=2, 3, 5.

Nevertheless, in mathematics, equation (1) may be named as the transport
function. Most components of expression (1) come from, Bose-Einstein statis-
tics [5 - 10] and According to the type of particles or quasi-particles, whether
they were phonons or magnons.
The temperature-dependent electrical resistivity or specific heat in most
kinds of metals and their alloys must have in its relationship part of equation
(1).
The aim of this paper is to find algebraic value of the mathematical inte-
gration in equation (1), and get a semi-empirical equation to the noble metal
resistivity to calculate some of the physical constants.
PHONONS BLOCH-GRÜNEISEN FUNCTION AND... 235

Figure 2: Mathematical integral graph of equation (1) for high

J(2, 3, 5, x) values

2. Quantum Statistical Mechanics

The expected number of particles with energy εi for all statistical distributions
are ni where [11]:
1
ni = , Fermi-Dirac distribution,
e(εi −µ)/KB T+1
1
n(ω) = (~ω/K T)−1 , Bose-Einstein distribution, (2)
e B
gi
ni = , Maxwell-Boltzmann distribution.
e( i )/KB T
ε −µ

Here Bose-Einstein and Fermi-Dirac integrals given by (see [12], [13]):

Z∞
−1 εs
Bs (µ) =(p!) dε, Bose-Einstein integrals,
e(ε−µ) − 1
0
Z∞ (3)
εs
Fs (µ) =(p!)−1 dε Ferml-Dirac integrals.
e(ε−µ) + 1
0

Estimation of Bloch-Grüneisen, Bose-Einstein and Fermi-Dirac integrals are

not easy, but Pass through very complex mathematical treatments.
236 M.A. Al-Jalali, S.A. Mouhammad

Bloch-Grüneisen resistivity (n = 5) or Bloch-Wilson (BW) formula (n = 3)

(see [14]) was physically presented by this equation (see [15]-[17]):

θ
 ZT
T 5 z5

C
ρelectron−phonon (T ) = dz
M θR θR (ez − 1) (1 − e−z )
0
 5  
C T T
= J5
M θR θR θR (4)
 5  
T T
ρN −process (T ) =4A J5
electron−phonon θR θR
 
T
ρU −process (T ) =BT 3 J3 ,
electron−phonon θR

where
θ θ
ZT ZT
zn z n ez
 
T
Jn = dz = dz.
θR (ez − 1) (1 − e−z ) (ez − 1)2
0 0

Here A is a constant, proportional to the square of the electron-lattice in-

teraction constant C (constant of the metal), θR is the Debye temperature
obtained from resistivity measurements, Jn θTR a transport integral (see [14]-
[16]), which belong to the family of the Bloch - Grüneisen functions.
In the same context, not only resistivity that subject to BG function but
also Phonons specific heat which derivative from thermal energy in solids. For
all possible frequencies up to the maximum frequency (quantum Debye model),
thermal energy given by [18]:
ωZmax
V ω2 ~ω
Uphonons = 2 3
d. (5)
2π υs e~ω/KB T − 1
0

If υs is identical for all three polarization, and suppose that:

~ω ~ωmax ~ωD Θ
x≡ ⇒ xmax = ⇒ xD = ≡
KB T KB T KB T T
ZxD (6)
~ωD T x3
where Θ = ⇒ Uphonons = 9N KB T ( )3 dx.
KB Θ ex − 1
0
PHONONS BLOCH-GRÜNEISEN FUNCTION AND... 237

Where the Integral in equation (6) belong to the family of Debye functions.
Derivative phonons energy will give specific heat as follows: [19, 20]
 3 ZxD
T x4 ex
Cphonons = 9N kB dx, (7)
Θ (ex − 1)2
0
where Integral in equation (7) belong to the family of BG functions.
Similarly, with phonons specific heat, fermions specific heat may be written
as follows:
Z∞
n xn+1
Cv(f ermions) = AT dx, n = 1. (8)
(ex + 1)2
0

3. Mathematical Integrals Results of

Bloch-Grüneisen(BG) Function

In all equations log(x) is the natural logarithm and Lis (x) = polylog (s, x) is
the polylogarithm function given by:
∞
X xn x2 x3
Lis (x) = =x+ + s + ··· , (9)
n=1
ns 2s 3
where
x
Li0 (x) = Li1 (x) = − log(1 − x).
1−x
When ey = x, Then base e logarithm of x is ln(x) = log e(x) = y. In
addition, Riemann zeta function describes by [21]:
∞ Z∞ s−1
X
−s 1 x
ζ(s) = lim n or ζ(s) = x−1
dx, (10)
n→∞
n=1
Γ(s) e
0
where
Lis (1) = ζ(s), Γ(s) is Gamma function
The polylogarithm also arises in the closed form of the integrals of the
Fermi-Dirac distribution and the Bose-Einstein Distribution:
Z∞
εs
dε =Γ(s + 1)Li1+s (eµ ) Bose-Einstein integrals,
e(ε−µ) − 1
0
Z∞ (11)
εs
dε = − Γ(s + 1)Li1+s (−eµ ) Ferml-Dirac integrals.
e(ε−µ) + 1
0
238 M.A. Al-Jalali, S.A. Mouhammad

Many attempt was made to simplify BG functions [22]-[26], the integral

formula for Debye specific heat function was treated by [27], [28] and written
as follows:
Zx
3 e−t
Cv (3, x) = 3 t4 dt,
x (1 − e−t )2
0
4π 4 3xe−x
36 (12)
Cv (3, x) = 5 + −x + 12 ln(1 − e−x ) − Li2 (e−x )
5x (e − 1) x
72 72
− 2 Li3 (e−x ) − 3 Li4 (e−x ),
x x
where
θD
. x=
T
In addition, Deutsch [29] was reported BG function for n=5 by the following
equation:
∞
X
J(5, x) = 120ζ(5) − e−nx [x5 + 5x4 /n + 20x3 /n2 + 60x2 /n3
n=1
+ 120x/n4 + 120/n5 ], (13)

where
θD
. x=
T
However, mathematical programs may be simplify the problem to give so-
lutions for all complicated functions as follows:
Zx
et
J(n, x) = tn dt, (14)
(et − 1)2
0
x
J (1, x) = − x − + Log [1 − ex ] + Constant,
−1 + ex
Li1 (1) =ζ(1) = ∞, (15)
 x
π2

e x x x
J (2, x) =x + 2Log [1 − e ] + 2PolyLog [2, e ] − .
1 − ex 3
π2
Li2 (1) =ζ(2) = ≃ 1.645, (16)
 x6 
e x
J (3, x) =x2 + 3Log [1 − ex ] + 6xPolyLog [2, ex ] − 6PolyLog [3, ex ]
1 − ex
PHONONS BLOCH-GRÜNEISEN FUNCTION AND... 239

− 7.212,
Li3 (1) =ζ(3) = 1.202, (17)
x4
J (4, x) = − x4 − + 4x3 Log [1 − ex ] + 12x2 PolyLog [2, ex ]
−1 + ex
24 4
− 24xPolyLog [3, ex ] + 24PolyLog [4, ex ] − π ,
90
π4
Li4 (1) =ζ(4) = ≃ 1.082, (18)
90
x5
J (5, x) = − x5 − + 5x4 Log [1 − ex ] + 20x3 PolyLog [2, ex ]
−1 + ex
− 60x2 PolyLog [3, ex ] + 120xPolyLog [4, ex ]
− 120PolyLog [5, ex ] − 124.44,
Li5 (1) =ζ(5) = 1.037. (19)

4. Results and Discussion

AL-Jalali [30] was analyzing noble metals experimental resistivity data as in

figure (3).Figure (3) shows a general diagram between total noble metals resis-
tivity as a function of low and high temperatures.
At low temperatures, the total theoretical resistivity in pure noble metals
as expected may be written as:
θ
ZT
z3
ρ = ρ0 + AT 2 + BT 3 dz
(ez − 1) (1 − e−z )
0
θ
ZT
z5
+ CT 5 dz. (20)
(ez − 1) (1 − e−z )
0

Whereas at high temperature, resistivity will become:

ρ = ρ0 + aT. (21)

Table (1) show total resistivity for noble metals (Cu, Ag, Au) as a function of
temperature. Precise mathematical analysis shows temperature dependence of
total resistivity as a power series equation:
240 M.A. Al-Jalali, S.A. Mouhammad

Figure 3: Noble metals resistivity as a function of low and high tem-

peratures

ρ = (ρ0 = a0 ) + a1 T + a2 T 2 + a3 T 3 + a4 T 4 + a5 T 5 + a6 T 6 + a7 T 7 + · · ·
X∞
= an T n , (22)
n=0

Where the first term is residual resistivity, second and third terms belong to
electron-electron resistivity, and remain terms belong to electron -phonon re-
sistivity.
As for Debye temperature, a power series equation has got between Debye
temperature in Cu, Ag, and Au (from Debye specific heat) as a function of
temperature as follows:
∞
X
θD = a0 +a1 T +a2 T 2 +a3 T 3 +a4 T 4 +a5 T 5 +a6 T 6 +a7 T 7 +· · · = an T n . (23)
n=0

Table (2) shows temperature coefficients to Debye temperatures (θD ) as a func-

tion of temperature.
Comparing between temperature coefficients in table (1, 2), theoretical
equations (4, 20), and mathematical equation (19), Semi-empirical expression of
phonons resistivity equation has investigated to graph or calculate the electron-
lattice interaction constant C in equation (4) (constant of metal) numerically
as a function of temperature.
PHONONS BLOCH-GRÜNEISEN FUNCTION AND... 241

Metal/ a0 a1 a2 a3
Temp.
Cu 0.0020072477 -6.59215 e-06 6.1465634e-07 1.9487627 e-07
Ag 0.0010727211 -8.5974242 e-05 2.3020238e-05 -2.3107606 e-06
Au 0.021514659 0.00057307547 -0.00015561305 1.5810016e−05
Metal/ a4 a5 a6 a7
Temp.
Cu -3.7625358 e-08 2.396102 e-09 -4.5951453 e-11 2.9285589e-13
Ag 1.0165649 e-07 -2.2483697 e-10 -2.7065371 e-11 2.5129472 e-13
Au -6.6902756 e-07 1.8891179 e-08 -2.8090806 e-10 1.6022257 e-12

Table 1: Coefficients of temperature in total experimental resistivity

equation

Metal/ a0 a1 a2
Temp.
Cu 346.9929 -0.69513111 0.13541134
Ag 227.22953 -1.0256429 0.45467396
Au 155.75443 3.4437989 -0.27512537
Metal/ a3 a4 a5 a6
Temp.
Cu -0.015693188 0.00049115137 -4.4563378e-06
Ag -0.074871003 0.0045972012 -0.00012263238 1.210334e-06
Au -0.0070253444 0.0015493054 -5.7678039e-05 6.797874e-07

Table 2: Temperature coefficients of equation (23)

In this way, Semi-empirical equation between electron-lattice interaction

constant C (constant of the metal) and Debye temperature as a function of
temperature has achieved as follows:
θ
5 ZT
z5

C T
ρN −process (T ) = dz
electron−phonon M θR θR (ez − 1) (1 − e−z )
0
 5  
C T T
= J5 = a5 T 5 ,
M θR θR θR

a5 M
C=  
T
J5 θR
242 M.A. Al-Jalali, S.A. Mouhammad

x5
−1
 [−x5 − −1+ 4 x 3 x

ex + 5x Log [1 − e ] + 20x PolyLog [2, e ] 
6
= a5 M θ R − 60x2 PolyLog [3, ex ] + 120xPolyLog [4, ex ] ,
 x
−120PolyLog [5, e ] − 124.44]


(24)
 
U −process 3 T
ρ (T ) = BT J3 = a3 T 3 ,
electron− phonon θR

a
B= 3 
T
J3 θR

ex x + 3Log [1 − ex ] + 6xPolyLog [2, ex ] −1

(   )
x2 1−ex
= a3 , (25)
−6PolyLog [3, ex ] − 7.212

a3 and a5 have been taken from table (1) for Cu, Ag, Au,and Debye temperature
(θD ) has been taken from equation(23) and table(2).

5. Conclusions

There are an excellent agreement between Grüneisen-Bloch function, and ex-

perimental results. Semi-empirical analysis shows that the metal constant is
not constant, as well as the temperature of Debye, but they are dependent at
temperature fluctuations.

Acknowledgments

We are greatly indebted to all those whom we analyzed their published crude
experimental results. In addition, to Wolfram Mathematica website, Journal
of Physical and Chemical Reference Data and National Institute of Standards
and Technology for their great efforts to collect experimental data.

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