PHASM472/PHASG472 Homework 1 2017 (STB)

2 pages. Available on 17/01/17; to be returned by 31/01/17

1. d- Spacings (5 marks)

(a) Write down an expression that defines a reciprocal lattice vector G of a cubic lattice in terms

of the lattice constant a and the Miller indices h, k, l. [1]

(b) Use this to derive an expression for the planar d-spacing of a cubic structure in terms of the

same parameters. [2]

(c) Repeat the calculation of an orthorhombic structure with lattice parameters a, b, c. [2]

2. Generic experiment and scattering triangle (10 marks)

(a) Sketch the basic experimental geometry of X-ray or neutron scattering in the ‘W’ (or ‘M’)-

configuration. Appropriately annotate the di↵erent parts of your sketch. [2]

(b) Sketch the general scattering triangle for X-ray or neutron scattering. Mark on your dia-

grams the incident and scattered wave vectors (k, k0 respectively), the scattering vector Q, and the

scattering angle (2✓). [2]

(c) Show that the the scattering triangle is isoscelese for elastic scattering. Hence show that

|Q| = 4⇡ sin ✓/ . Write down the Laue condition for a and Q parallel and use the result just

derived to demonstrate its equivalence to Bragg’s law. [4]

(d) First order (n = 1) Bragg reflection from an analyser crystal is used to measure the energy

of a scattered X-ray or neutron. Express how the energy of (i) the scattered photon and (ii) the

scattered neutron depends on the scattering angle ✓0 at the analyser crystal (d-spacing da ). [4]

3. Maxwell flux distribution for neutrons (8 marks)

In lectures we discussed how neutrons produced by a reactor or spallation source are typically

passed through a hydrogenous material with which they come to (something approaching) thermal

equilibrium. The flux of neutrons that emerges has a distribution of speeds (s) given by:

pflux (s) / s3 exp( ms2 /2kT ).

Note that this is the Maxwell speeds distribution multiplied by an extra factor of s. This may be

proved formally by considering the passage of Maxwell-distributed particles through a small hole,

1
but the extra factor s can be understood intuitively by the fact that faster particles are more likely

to make it through the hole in a fixed time period.

(a) Explain why the neutrons produced by a reactor or spallation source are typically passed

through a hydrogenous material and what the process is called. [2]

(b) Determine an expression for the most probable neutron speed and corresponding energy. [3]

(c) The ‘cold’ source at the ILL, Grenoble, passes neutrons through liquid hydrogen at 20 K.

Determine the most probable speed of the neutrons in m/s and the wavelength of these neutrons

in nm (the neutron mass is 1.675 ⇥ 10 27 kg). [3]

4. Width and intensity of a Bragg peak in a finite crystal (9 marks)

Consider a linear crystal of N identical point scatterers at x = na. The scattering amplitude is

N
X1
A= exp( ina · Q)
n=0

which is a geometric series that may be summed i.e.

N
X1 1 xN
xn = .
1 x
n=0

(a) Use this to show that |A|2 (proportional to the di↵racted intensity) is:

sin2 N a · Q/2
|A|2 = . [2]
sin2 a · Q/2

(b) By the Laue condition, the Bragg peak centre is at a · Q = 2⇡h so consider the small deviation

in reciprocal space a · Q = 2⇡h + ✏. By making this substitution derive the dependence of the

intensity on ✏. [1]

(c) Show that the maximum of the Bragg peak intensity scales as N 2 and that the first zero of the

function is at ✏ = 2⇡/N (hint: find an analytic simplification of the function derived in part b). [4]

(d) Sketch the function for large N and argue that the Bragg peak becomes extremely intense and

sharp in a real crystal. [2]

P
(e) OPTIONAL (not marked). Show that in the large N limit, |A|2 (Q) ! N a⇤ h (Q ha⇤ )
R1
[useful information: 1 sinc(y)dy = ⇡.]