Professional Documents
Culture Documents
Assignment - 2 - Crystallography II
Assignment - 2 - Crystallography II
Assignment - 2
Due/Discussion Date: 15/02/2024
1. (a) Find out the Miller indices for the planes shown below.
(b) Draw the planes for the given miller indices for a cubic lattice.
(i) (111) (ii) (1-11) (iii) (110)
√
2. The primitive√translation vectors for a hexagonal lattice is given by T ⃗ 1 = a î + 3a ĵ + 0k̂,
2 2
⃗ 2 = − a î + 3a ĵ + 0k̂ and T
T ⃗ 3 = 0î + 0ĵ + ck̂. Find the lattice vectors of the reciprocal
2 2
lattice.
The quantity SG is called the structure factor and is defined as an integral over a single
cell, with r = 0 at one corner.
Often it is useful to write the electron concentration n(r) as the superposition of electron
concentration functions nj associated with each atom j of the cell. If rj is the vector to
the center of the atom j, then the function nj (r − rj ) defines the contribution of that
atom to the electron concentration at r. The total electron concentration at r due to all
the atoms in the single cell is the sum
s
X
n(r) = nj (r − rj ) (2)
j−1
1
over the s atoms of the basis. The decomposition of n(r) is not unique, for we cannot al-
ways say how much charge density is associated with each atom. This is not an important
difficulty.
The structure factor defined by (1) may now be written as integrals over the s atoms of
a cell: XZ X Z
−iG·r −iG·rj
SG = dV nj (r − rj ) e = e dV nj (ρ) e−iG·ρ , (3)
j j
rj = xj a1 + yj a2 + zj a3 . (6)
G · rj = (v1 b1 + v2 b2 + v3 b3 ) · (xj a1 + yj b2 + zj a3 )
= 2π(v1 xj + v2 yj + v3 zj ) (7)
The structure factor S need not be real because the scattered intensity will involve S*S,
where S* is the complex conjugate of S so that S*S is real.
Disclaimer: This discussion is taken from the book ”Introduction to Solid State Physics”
by Charles Kittel.
Question: Calculate the structure factor of Sodium Chloride (NaCl) lattice.
4. Width of diffraction maximum: We suppose that in a linear crystal there are identical
point scattering centers at every lattice point ρm = ma, where m is an integer. By analogy
with XZ
F = dV nG ei(G−∆k)·r ,
G
P
the total scattered radiation amplitude will be proportional to F = exp[−ima · ∆k].
The sum over M lattice points is
1 − exp[−iM (a · ∆k)]
F = ,
1 − exp[−i(a · ∆k)]
Page 2
by the use of series
M −1
X 1 − xM
xm = .
m=0
1−x
2 sin2 12 M (a · ∆k)
|F | ≡ F ∗ F =
sin2 12 (a · ∆k)
5. Analyse the following XRD patterns obtained for KCl and KBr.
Page 3