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The document discusses several common crystal structures including diamond cubic, zinc blend, NaCl, and CsCl. The diamond cubic structure consists of two interpenetrating face-centered cubic lattices with atoms at the lattice points and shifted positions. Zinc blend is similar but for binary compounds with alternating elemental atoms. NaCl and CsCl are common ionic crystal structures, with NaCl having alternating sodium and chlorine ions and CsCl having equal sized ions arranged in a cubic pattern. The document also covers finding directions in crystal structures and important direction families.

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Anudwaipaon Antu
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144 views10 pages

Slides 02

The document discusses several common crystal structures including diamond cubic, zinc blend, NaCl, and CsCl. The diamond cubic structure consists of two interpenetrating face-centered cubic lattices with atoms at the lattice points and shifted positions. Zinc blend is similar but for binary compounds with alternating elemental atoms. NaCl and CsCl are common ionic crystal structures, with NaCl having alternating sodium and chlorine ions and CsCl having equal sized ions arranged in a cubic pattern. The document also covers finding directions in crystal structures and important direction families.

Uploaded by

Anudwaipaon Antu
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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Crystal Structures

1
Diamond Cubic Crystal (DCC) Structure

• It’s an FCC-like structure.


• Some covalently bonded solids have this DCC structure due to their
tetrahedral configuration (directional nature of the covalent bonds).
• Examples: Si and Ge
• Structure: FCC lattice + 2-atom basis
• Basis: 2 atoms at each site of an FCC lattice. One right at the
lattice point (say, the point (x, y, z)). The other is displaced from it
by a/4 along the cube edges (at point (x+a/4,y+a/4,z+a/4,) )
• Atoms per unit cell = 8
• The coordination number = 4 (why?) 2
Zinc Blend Structure

• Looks like DCC, but they are for binary compounds and so the two
elemental atoms alternate positions.
• ZnS (Zinc Blend) crystalizes as per this structure, so the name Zinc
Blend cubic structure.
• Many important compound semiconductor (Binary semiconductor)
materials have this crystal structure.
• Examples: AlAs, ZnS, GaAs, GaP, InP, InAs, and ZnTe
3
APF of a DCC
Z

2r
a/4
Y
a/4
O
a/4 X

𝑂𝑍 2 = 𝑂𝑋 2 + 𝑋𝑌 2 + 𝑌𝑍 2

∴ (2𝑟)2 = (𝑎/4)2 + (𝑎/4)2 + (𝑎/4)2


3
∴𝑟= 𝑎
8
4 4 3
8. 𝜋𝑟 3 8. 𝜋( 𝑎)3
A𝑃𝐹 = 3 3 = 3 38
𝑎 𝑎
3
= 𝜋 ≈ 0.34
16 4
Ionic Solids: NaCl (Rock-Salt) Crystal Structure

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

5
Ionic Solids: CsCl (Rock-Salt) Crystal Structure

• When two ions have equal charges and are about the same size (e.g.
CsCl crystal), the unit cell is called the CsCl structure.
• Example: CsCl, CsBr, CsI, TlCl, and TlBr
• Each cation is surrounded by eight anions (and vice versa).
• It is not a true BCC cell as the atoms at various lattice points are
different.

See Table 1.3 in the book.


6
Crystal Directions
• Crystal properties – such as elastic modulus, electrical resistivity,
magnetic susceptibility – are different in different directions and planes.
• So, we need to specify directions and planes in a crystal.
• Crystal unit cell geometry → parallelepiped with sides a, b, c and
angles α, β, and γ - known as crystal parameters.
• For BCC and FCC, 𝑎 = 𝑏 = 𝑐, 𝛼 = 𝛽 = 𝛾 = 90°. For HCP, 𝑎 = 𝑏 ≠
𝑐, 𝛼 = 𝛽 = 90°, and 𝛾 = 120°

7
Finding Directions

8
Important Directions

• Some directions are equivalent since the coordinate system xyz is


arbitrary.
• Directions [100] and [010] are equivalent.

9
Family of Directions

• A set of directions, considered to be equivalent, is called a family of


directions.

• Family of < 111 > directions

10

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