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Lecture3

The document discusses various crystal structures, including diamond cubic and zinc-blende structures, highlighting their atomic arrangements and examples. It also covers the atomic packing factor (APF) for diamond cubic and the characteristics of ionic solids like NaCl and CsCl. Additionally, it explains crystal directions, planes, and the use of Miller indices to describe them.

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Atia Afsana
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4 views

Lecture3

The document discusses various crystal structures, including diamond cubic and zinc-blende structures, highlighting their atomic arrangements and examples. It also covers the atomic packing factor (APF) for diamond cubic and the characteristics of ionic solids like NaCl and CsCl. Additionally, it explains crystal directions, planes, and the use of Miller indices to describe them.

Uploaded by

Atia Afsana
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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1

Diamond Cubic Crystal Structure

• Covalently bonded solids have diamond structure due to the directional nature
of the covalent bonds  tetrahedral configuration.
• Examples: Si and Ge
• If we place 2 Si-atoms at each site of an FCC unit cell appropriately, one right
at the lattice point, and the other displaced from it by a/4 along the cube edges,
we can generate the diamond cell  8 atoms per unit cell
2

1
Zinc-Blende Structure

• In Zinc-Blende structure (e.g., ZnS, GaAs), there are binary compounds


involved.
• Thus, it looks like a diamond cubic, but Zn and S-atoms alternating positions
• Examples: ZnS, AlAs, GaAs, GaP, GaSb, InAs, InP, InSb, ZnTe.

APF of Diamond Cubic

𝑎
• Neighboring atoms are shifted by 𝑑 = 3
4
𝑑 𝑎
• Radius of atoms 𝑟 = = 3
2 8

4 4 3
8 𝜋𝑟 8 𝜋 𝑎
AFP = 3 = 3 8
𝑎 𝑎
= 𝜋 ≈ 0.34
4

2
Ionic Solid: NaCl

• The crystal structure depends on the relative charge and size per ion.
• Na+ ions are about half of Cl- ions, which results 6 nearest neighbors.
• The crystal can be described as two interpenetrating FCC unit cells,
each having oppositely charged ions at the corners and face centers.

Ionic Solid: CsCl

• When the cations and anions have equal charges and are about the same
size, as in the CsCl crystal, the unit cell is called the CsCl structure.
• Each cation is surrounded by eight anions (and vice versa), which are at the
corners of a cube.
• This is not a true BCC unit cell because the atoms at various BCC lattice
points are different. 6

3
Crystal Directions
• Crystal properties – such as elastic modulus, electrical resistivity, magnetic
susceptibility – are different in different directions and planes.
• Therefore, we need to specify directions and planes in a crystal.
• Crystal unit cell geometry  parallelepiped with sides a, b, c and angles ,  ,  -
known as crystal parameters.
• For BCC and FCC, 𝑎 = 𝑏 = 𝑐, 𝛼 = 𝛽 = 𝛾 = 90° , and cubic symmetry. For HCP,
𝑎 = 𝑏 ≠ 𝑐, 𝛼 = 𝛽 = 90° , and 𝛾 = 120° .

Finding Directions

• A point P on the vector can be expressed by the projections 𝑥 , 𝑦 and 𝑧 from


point P onto the 𝑥, 𝑦, and 𝑧 axes.
• 𝑥 , 𝑦 and 𝑧 can be expressed in terms of lattice parameters a, b, and c.

• If 𝑥 , 𝑦 and 𝑧 are 𝑎, 𝑏, 𝑐, then P is at 𝑥 , 𝑦 , 𝑧  ½, 1, ½.

• These numbers are converted to the smallest integers  𝑢𝑣𝑤 = 121 .


• If any integer is a negative number, we use a bar on the top of that integer.
8

4
Important Directions

• Some directions are equivalent since the coordinate system xyz is arbitrary.
• Directions [100] and [010] are equivalent.

Family of Directions
• A set of directions considered to be equivalent is called a family of
directions.
100 = [100], [010], [001], [100], [010], [001]

• Family of 111 directions

10

5
Crystal Planes

• We need to describe a particular plane of a crystal  Miller indices.


• Take any plane, note the x, y, z intercepts in terms of lattice parameters a, b, c.
• Invert the numbers – you get the Miller indices  (hkl) = (a-1b-1c-1)
• A bar is used for a negative integer due to a negative intercept.
• [hkl] direction is always perpendicular to the (hkl) plane.

11

Miller Indices

• Family of planes is represented by curly braces as {100}: (100), (010),


(001), 100 , 010 , (001) 12

6
Miller Indices
• Planes can have the same [hkl] only if they are separated by a
multiple of lattice parameters.

13

Miller Indices

14

7
Miller Indices

15

Family of Planes

16

8
Family of Planes

17

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