PHASM/G472: Homework #3, 21st February 2017

Please hand in by March 7th 2017

1. In the lectures we proved that, in a one dimensional approximation to a ferromagnet, the magnon
dispersion is:
ℏ𝜔 = 4𝐽𝑆(1 − cos 𝑞𝑎).
(a) Show that in the small 𝑞 limit, the dispersion is [1]:
ℏ𝜔 ≈ 2𝐽𝑆𝑎2 𝑞 2.
(b) The above approximation can be shown to apply in all dimensions. Magnons have a single
polarisation for a given 𝑞. By counting modes in reciprocal space, in a manner analogous to free
electron or phonon theory, show that the magnon density of states per unit volume is [3]:
⁄2
1 ℏ 3
𝐷(𝜔) = 2 ( ) 𝜔 1⁄2 .
4𝜋 2𝐽𝑆𝑎2
(c) Given that the excitation of each magnon costs one unit of spin, the magnetisation (= magnetic
moment per unit volume) of a ferromagnetic sample with 𝑛 spins 𝑆 per unit volume may be written:
∞
𝑀 = 𝑔𝜇B [𝑛𝑆 − ∫ 𝐷(𝜔)〈𝑛(𝜔)〉𝑑𝜔],
0

where 〈𝑛(𝜔)〉 = (exp⁡(ℏ𝜔⁄𝑘𝑇) − 1 )−1 is the magnon occupation number, and the upper limit has
been extended to infinity as a close approximation. Show that this leads to the Bloch law:
𝑀(𝑇) = 𝑀(0) − 𝐶𝑇 3/2 .
Hence derive an expression for 𝐶 in terms of the quantities already given [3].
∞ 𝑥 1⁄2
You will need the standard integral ∫0 = (1⁄2)√𝜋𝜁(3⁄2), where 𝜁 is the Riemann zeta
𝑒 𝑥 −1
function and 𝜁(3⁄2) = 2.61238.
(d) Define the ferromagnetic order parameter. A Heisenberg ferromagnet has a bcc lattice with
𝑆 ≈ 1. In a neutron experiment it is found that the order parameter reaches the value 7⁄8 at 𝑇 ≈
526⁡K. Calculate the exchange constant in kelvin (i.e 𝐽/K). Hint: first calculate the number of atoms
per unit cell [3].
2. The X-ray powder pattern opposite was obtained
in reflection geometry from a sample of powdered
silicon using Cu-radiation ( = 1.5418 Å) on our
lab-based X-ray powder diffractometer (see Figure
overleaf). Silicon adopts the diamond structure
with conventional lattice parameter 5.4307Å. The
data can be downloaded from the course Moodle
site as file: XRD-Si-HW3-Q2.xls.
(a) For powder diffraction from a crystalline
material, obtain an expression for the broadening
of Bragg peaks due to finite particle size (Scherrer
equation) and strain (Stokes-Wilson equation).
Explain also what effects the thermal motions of
atoms will have on the observed diffraction
pattern. [4]
(b) Use a Williamson-Hall plot for the first 5 Bragg peaks to estimate the particle size and strain
for the Si sample whose powder diffraction pattern is shown above. [5]

1
3. (a) Explain what is meant by the harmonic approximation and reduced wavevector in the context
of lattice dynamics. [2]
(b) For three-dimensional crystals the inter-planar force constants 𝐽𝛼 are given by 𝐽𝑥 =
⁡∑𝑗 𝜕 2 𝑉⁄𝜕𝑥𝑗2 , etc. Show that these can be re-written in terms of inter-atomic force constants as 𝐽𝑥 =
⁡𝐾 ∑𝑗 𝑥𝑗2 ⁄𝑟𝑗2 , etc where j runs over nearest neighbour sites and 𝐫𝒋 = (𝑥𝑗 , 𝑦𝑗 , 𝑧𝑗 ) is the bond vector
connecting atoms in adjacent planes. [1]
(c) The phonon dispersion curves for solid body centred cubic lithium metal are shown in the figure
below. Derive an expression for the inter-planar force constants for propagation of phonons along
the [100] direction in lithium, and hence explain the experimental observation that the longitudinal
(L) and transverse (T) mode energies are degenerate at the zone boundary. [3]

(d) Use your expressions and the figure and data below to estimate the force constant, 𝐾, and the
speed of sound, 𝑣, for solid lithium. The atomic weight of lithium is 6.94 g mol-1 and the
conventional lattice parameter is 3.49 Å. [2]
(e) From similar considerations, explain quantitatively the behaviour of the L phonon mode along
the [111] direction. [5]