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By Edhole
Topic:- Crystal Structure
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II. Crystal Structure
A. Lattice, Basis, and the Unit Cell
B. Common Crystal Structures
C. Miller Indices for Crystal Dire...
A. Lattice, Basis, and Unit Cell
An ideal crystalline solid is an infinite repetition of identical
structural units in spa...
lattice: a periodic array of points in space. The environment
surrounding each lattice point is identical.
basis: the atom...
Example: a 2-D lattice
These two choices of lattice vectors illustrate two types of unit cells:
a

b

b

a

Convention...
A lattice translation vector connects two points in the lattice that have
identical symmetry:
a

b

ba


ba

2
cnb...
B. Common Crystal Structures
2-D only 5 distinct point lattices that can fill all space
3-D only 14 distinct point lattice...
Crystal Structure Diagrams
(a) NaCl
(b) CsCl
(c) fluorite
(d) perovskite
(e) Laves phase
(f) A15
Crystal Structure Diagrams
(continued)
diamond structure
(C, Si, Ge)
hexagonal close
packed (Be, Mg, Zn)
Analysis of Common Crystal Structures
1. NaCl structure (many ionic solids)
2. CsCl structure (some ionic solids and inter...
Common Crystal Structures, cont’d
3. hexagonal-close-packed (divalent metals)
4. diamond structure (C, Si, Ge)
lattice: he...
C. Miller Indices for Crystal Directions & Planes
Because crystals are usually anisotropic (their properties differ
along ...
C. Miller Indices,cont’d.
2. Express the intercepts as multiples of the base vectors of the lattice
In this example, let’s...
Another example
Find the Miller indices of
the shaded plane in this
simple cubic lattice: kacjabiaa ˆˆˆ 

Intercept ...
Crystal Planes and Directions
Crystal directions are
specified [hkl] as the
coordinates of the lattice
point closest to th...
D. The Reciprocal Lattice
Crystal planes (hkl) in the real-space or direct lattice are characterized by the
normal vector ...
The Reciprocal Lattice, cont’d.
The reciprocal lattice is composed of all points lying at positions from
the origin, so th...
The Reciprocal Lattice: An Analogy
Waves of lattice vibrations or electron waves moving through a crystal with a
periodici...
Definition of Reciprocal Lattice Base Vectors
These reciprocal lattice base vectors are defined:
Which have the simple dot...
Remember:
Problems worthy
of attack
Prove their worth
by hitting back
--Piet Hein
http://ebooks.edhole.com
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  1. 1. Free Ebooks Download Mba Ebooks By Edhole Topic:- Crystal Structure http://ebooks.edhole.com
  2. 2. II. Crystal Structure A. Lattice, Basis, and the Unit Cell B. Common Crystal Structures C. Miller Indices for Crystal Directions and Planes D. The Reciprocal Lattice http://ebooks.edhole.com
  3. 3. A. Lattice, Basis, and Unit Cell An ideal crystalline solid is an infinite repetition of identical structural units in space. The repeated unit may be a single atom or a group of atoms. An important concept: crystal structure = lattice + basis = +
  4. 4. lattice: a periodic array of points in space. The environment surrounding each lattice point is identical. basis: the atom or group of atoms “attached” to each lattice point in order generate the crystal structure. The translational symmetry of a lattice is given by the base vectors or lattice vectors . Usually these vectors are chosen either: 1. to be the shortest possible vectors, or 2. to correspond to a high symmetry unit cell http://ebooks.edhole.com cba  ,,
  5. 5. Example: a 2-D lattice These two choices of lattice vectors illustrate two types of unit cells: a  b  b  a  Conventional (crystallographic) unit cell: larger than primitive cell; chosen to display high symmetry unit cell Primitive unit cell: has minimum volume and contains only one lattice point http://ebooks.edhole.com
  6. 6. A lattice translation vector connects two points in the lattice that have identical symmetry: a  b  ba   ba  2 cnbnanr  321  integers321 nnn In our 2-D lattice:
  7. 7. B. Common Crystal Structures 2-D only 5 distinct point lattices that can fill all space 3-D only 14 distinct point lattices (Bravais lattices) The 14 Bravais lattices can be subdivided into 7 different “crystal classes”, based on our choice of conventional unit cells (see text, handout). Attaching a basis of atoms to each lattice point introduces new types of symmetry (reflection, rotation, inversion, etc.) based on the arrangement of the basis atoms. When each of these “point groups” is combined with the 14 possible Bravais lattices, there are a total of 230 different possible “space groups” in 3-D. We will focus on the few that are common for metals, semiconductors, and simple compounds. http://ebooks.edhole.com
  8. 8. Crystal Structure Diagrams (a) NaCl (b) CsCl (c) fluorite (d) perovskite (e) Laves phase (f) A15
  9. 9. Crystal Structure Diagrams (continued) diamond structure (C, Si, Ge) hexagonal close packed (Be, Mg, Zn)
  10. 10. Analysis of Common Crystal Structures 1. NaCl structure (many ionic solids) 2. CsCl structure (some ionic solids and intermetallic alloys) lattice: face-centered cubic (fcc) basis: Na at 000, Cl at ½½½ lattice: simple cubic (sc) basis: Cs at 000, Cl at ½½½
  11. 11. Common Crystal Structures, cont’d 3. hexagonal-close-packed (divalent metals) 4. diamond structure (C, Si, Ge) lattice: hexagonal basis: 000, 2/3 1/3 1/2 lattice: face-centered-cubic (fcc) basis: 000, ¼¼¼ (see text for an alternate choice of lattice and basis) 5. zincblende structure (ZnS, GaAs, InP, compound semicond’s) lattice: face-centered-cubic (fcc) basis: Zn at 000, S at ¼¼¼ http://ebooks.edhole.com
  12. 12. C. Miller Indices for Crystal Directions & Planes Because crystals are usually anisotropic (their properties differ along different directions) it is useful to regard a crystalline solid as a collection of parallel planes of atoms. Crystallographers and CM physicists use a shorthand notation (Miller indices) to refer to such planes. 1. Determine intercepts (x, y, z) of the plane with the coordinate axes x y z x = 1 y = 2 z = 3
  13. 13. C. Miller Indices,cont’d. 2. Express the intercepts as multiples of the base vectors of the lattice In this example, let’s assume that the lattice is given by: kcjbia ˆ3ˆ1ˆ1   Then the intercept ratios become: 1 3 3 2 1 2 1 1 1  c z b y a x 3. Form reciprocals: 1 1 1 2 1 1 1 1  z c y b x a 4. Multiply through by the factor that allows you to express these indices as the lowest triplet of integers: )212()11(2 2 1  We call this the (212) plane.
  14. 14. Another example Find the Miller indices of the shaded plane in this simple cubic lattice: kacjabiaa ˆˆˆ   Intercept ratios:  a z a y a x 1 Reciprocals: 010  z a y a x a We call this the (010) plane. a a a Intercepts:  zayx x y z non-intersecting  intercept at  Note: (hkl) = a single plane; {hkl} = a family of symmetry-equivalent planes
  15. 15. Crystal Planes and Directions Crystal directions are specified [hkl] as the coordinates of the lattice point closest to the origin along the desired direction: Note that for cubic lattices, the direction [hkl] is perpendicular to the (hkl) plane x y z ]100[ ]001[ ]100[ ]010[ Note: [hkl] = a specific direction; <hkl> = a family of symmetry- equivalent directions
  16. 16. D. The Reciprocal Lattice Crystal planes (hkl) in the real-space or direct lattice are characterized by the normal vector and the interplanar spacing : Long practice has shown CM physicists the usefulness of defining a different lattice in reciprocal space whose points lie at positions given by the vectors hklnˆ hkld x y z hkld hklnˆ hkl hkl hkl d n G ˆ2   This vector is parallel to the [hkl] direction but has magnitude 2/dhkl, which is a reciprocal distance
  17. 17. The Reciprocal Lattice, cont’d. The reciprocal lattice is composed of all points lying at positions from the origin, so that there is one point in the reciprocal lattice for each set of planes (hkl) in the real-space lattice. This seems like an unnecessary abstraction. What is the payoff for defining such a reciprocal lattice? hklG  1. The reciprocal lattice simplifies the interpretation of x-ray diffraction from crystals (coming soon in chapter 3) 2. The reciprocal lattice facilitates the calculation of wave propagation in crystals (lattice vibrations, electron waves, etc.)
  18. 18. The Reciprocal Lattice: An Analogy Waves of lattice vibrations or electron waves moving through a crystal with a periodicity specified by base vectors can likewise be decomposed into a sum of plane waves: In the analysis of electrical signals that are periodic in time, we use Fourier analysis to express such a signal in the frequency domain: ti eCtf     )( If f(t) has period T, then the coefficient C is nonzero only for frequencies given by T n  2  n = integer cba  )( ),( trki k k eCtr         Here, the coefficient Ck is nonzero only when the vector k is a reciprocal lattice translation vector: ClBkAhGk hkl   A, B, and C are the base vectors of the reciprocal lattice (some books use a*, b*, c*)
  19. 19. Definition of Reciprocal Lattice Base Vectors These reciprocal lattice base vectors are defined: Which have the simple dot products with the direct-space lattice vectors:  cba cb A       2 So compare, for example:  cba ac B      2  cba ba C      2 2 cCbBaA  bCaCaBcBcAbA   0 nT  2 lcG kbG haG hkl hkl hkl    2 2 2       frequency  time Reciprocal lattice direct lattice
  20. 20. Remember: Problems worthy of attack Prove their worth by hitting back --Piet Hein http://ebooks.edhole.com
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