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Crystallographic Planes and Directions X-Ray Diffraction

Week4

Material Sciences and Engineering MatE271

1

**Importance of Crystal Structures, Directions, Planes? o Properties depend on geometry of crystals
**

• Speed of light, sound • Strength • Conductivity

o In cubic single crystals properties are isotropic, all other systems are anisotropic

Material Sciences and Engineering

MatE271

Week 4

2

Material Sciences and Engineering,

o Put in x. . o Directions and planes are described using three integers .Crystallographic Planes & Directions direction plane o Many material properties and processes vary with direction in the crystal o It is often necessary to be able to specify certain directions and planes in crystals.y format.Greatest density of lattice points This is true in 3-D as well (21) (41) (13) Material Sciences and Engineering MatE271 Week 4 4 Material Sciences and Engineering. (11) (10) Properties: Lowest Indices .Miller Indices Material Sciences and Engineering MatE271 Week 4 3 Indexing in 2D o Determine ∆ in unit distances to move from one lattice point to the next in the plane (or direction).Greatest plane spacing Lowest Indices .

. c are lattice parameters (length of unit cell along a side) o h. b. z are the axes (on arbitrarily positioned origin) • in some crystal systems these are not mutually ⊥ o a. y.expressed as (hkl) and [hkl] Material Sciences and Engineering MatE271 Week 4 5 Miller Indices for Directions o Conventions for naming • There are NO COMMAS between numbers • Negative values are expressed with a bar over the number (-2 is expressed 2) o Crystallographic direction: • [123] • [100] Material Sciences and Engineering MatE271 Week 4 6 Material Sciences and Engineering. l are the Miller indices for planes and directions . k. Planes & Miller Indices o Miller indices used to express lattice planes and directions o x.General Rules for Lattice Directions.

define tail as origin. a.Naming Directions z [111] z [110] z [111] y x x y x y z [210] z [010] z [111] y x Material Sciences and Engineering y x MatE271 y x Week 4 8 Material Sciences and Engineering. b. z = 1 • [1/2 0 1] -> [1 0 2] Material Sciences and Engineering MatE271 z [???] [111] y [110] x [100] Entire lattice can be referenced by one unit cell! Week 4 7 Example . y = 0. .Miller Indices for Directions Recipe • Draw vector. • Determine length in unit cell dimensions. and c • Remove fractions by multiplying by smallest possible factor • Enclose in square brackets • What is ??? • x = 1/2.

g.Example . [123].Drawing Directions o Draw [112] [111] and [222] 1/2 1/2 Material Sciences and Engineering MatE271 Week 4 9 Families of Directions o Equivalence of directions [101] = [110] cubic [101] ≠ [110] tetragonal o <123> Family of directions • e. [132]. . [312]. [213]. [231] • (only in a cubic crystal) • In the cubic system directions having the same indices regardless of order or sign are equivalent Material Sciences and Engineering MatE271 Week 4 10 Material Sciences and Engineering.

plane // to axis.Miller Indices for Planes o (hkl) Crystallographic plane o {hkl} Family of crystallographic planes • e. (hlk) etc.g. and c • Take the reciprocal (1/∞ = 0) • Convert to smallest integers (optional) • Enclose by parentheses Material Sciences and Engineering MatE271 z (111) y x Note . (lhk). • In the cubic system planes having the same indices regardless of order or sign are equivalent o Hexagonal crystals can be expressed in a four index system (u v t w) • Can be converted to a three index system using formulas Material Sciences and Engineering MatE271 Week 4 11 Miller Indices for Planes Recipe • If the plane passes through the origin. b. select an equivalent plane or move the origin • Determine the intersection of the plane with the axes in terms of a. (hkl). intercept = ∞ and 1/∞ = 0 Week 4 12 Material Sciences and Engineering. .

• Can scatter the wave • Have a spacing comparable to the wavelength o X-ray wavelength ~ inter-atomic spacing and are scattered by atoms.Crystallographic Planes z z z (001) (111) (011) y x x y x y z (201) z z (212) (100) y x Material Sciences and Engineering y x MatE271 y x Week 4 13 X-Ray Diffraction o Can be used to determine crystal structure (and hence identity of an unknown material) o Diffraction occurs whenever a wave encounters a series of regularly spaced objects that. Material Sciences and Engineering MatE271 Week 4 14 Material Sciences and Engineering. .

Destructive Material Sciences and Engineering MatE271 Week 4 15 Bragg’s Law o For constructive interference.3…order of reflection Material Sciences and Engineering MatE271 Week 4 16 Material Sciences and Engineering.Constructive & Destructive Interference Constructive Maximum and minimum results from two diffracting beams phase shifted from one another. the additional path length SQ+QT must be an integral number of wavelengths: Real diffraction is more complicated for non-simple cubic X-ray Source: Monochromatic and in-phase P S Q T nλ = SQ + QT = dhklsinθ + dhklsinθ = 2 dhklsin θ n = 1. .2.

BCC center atoms) can produce out of phase scattering at certain Bragg angles θ. For cubic symmetry: dhkl = a/(h2 + k2 + l2)1/2 Material Sciences and Engineering MatE271 Week 4 17 Diffractometer Technique o Use powder (or polycrystalline) sample to guarantee some particles will be oriented properly such that every possible set of crystallographic planes will be available for diffraction. are cancelled out. .h. o Each material has a unique set of planar distances and extinctions.h + k + l must be even FCC .g. Net effect…some of the diffracted beams. that according to Bragg’s Law should be present. o Example . l must all be either even or odd o Magnitude of difference between two adjacent and parallel planes of atoms is function of Miller Indices and the lattice parameter. Cubic Symmetry o Real diffraction is more complicated for non-simple cubic systems because some set’s of atoms (e. k.for diffraction to occur: BCC . making X-ray diffraction useful in analysis of an unknown. Material Sciences and Engineering MatE271 Week 4 18 Material Sciences and Engineering.Bragg’s Law.

101-110 Check class web site: www.html 2 Material Sciences and Engineering MatE271 Week 4 20 Material Sciences and Engineering.Example o For BCC Fe. Material Sciences and Engineering MatE271 Week 4 19 Reading Assignment Shackelford 2001(5th Ed) Read: pp 88. compute a) the interplanar spacing b) the diffraction angle for (220) set of planes. The lattice parameter for Fe is 0.edu\~bastaw\courses\Mate271. .iastate. Consider 1st order reflections only.1790 nm.2866 nm and the wavelength used is 0.public.

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