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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
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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
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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
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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
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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.
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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
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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.
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Miller Indices
• Family of planes is represented by curly braces as {100}: (100), (010),
(001), 100 , 010 , (001) 12
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Miller Indices
• Planes can have the same [hkl] only if they are separated by a
multiple of lattice parameters.
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Miller Indices
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Miller Indices
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Family of Planes
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Family of Planes
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