Beruflich Dokumente
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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
crystal structure
lattice
basis
A lattice translation vector connects two points in the lattice that have
identical symmetry:
r n1a n2 b n3c
n1 n2 n3 integers
a b
a 2b
3-D
(c) fluorite
(d) perovskite
diamond structure
(C, Si, Ge)
z=3
y=2
y
x=1
C. Miller Indices,contd.
2. Express the intercepts as multiples of the base vectors of the lattice
3. Form reciprocals:
a 1
1
x 1
x 1
1
a 1
b 1
y 2
y 2
2
b 1
b 1 j
c 3k
z 3
1
c 3
c 1
1
z 1
4. Multiply through by the factor that allows you to express these indices as
the lowest triplet of integers:
2 (1 12 1) (212)
Another example
z
a
y
a
x
ya
a ai
b aj
c ak
Intercepts:
Intercept ratios:
y
1
a
Reciprocals:
a
0
x
a
1
y
a
0
z
non-intersecting intercept at
[001]
y
x
[100]
[00 1 ]
[010]
z
y
nhkl
d hkl
2nhkl
Ghkl
d hkl
The reciprocal lattice is composed of all points lying at positions Ghkl 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?
1.
2.
f (t ) C e it
2n
T
n = integer
k Ghkl hA kB lC
2 b c
A
a b c
2 c a
B
a b c
2 a b
C
a b c
Which have the simple dot products with the direct-space lattice vectors:
A a B b C c 2
Ab Ac 0 B c B a C a C b
Ghkl a 2h
Remember:
Problems worthy
of attack
Prove their worth
by hitting back
--Piet Hein