Paper 4, Section II,

Applications of Quantum Mechanics
Part II, 2015

Let Λ\Lambda be a Bravais lattice with basis vectors a1,a2,a3\mathbf{a}_{1}, \mathbf{a}_{2}, \mathbf{a}_{3}. Define the reciprocal lattice Λ\Lambda^{*} and write down basis vectors b1,b2,b3\mathbf{b}_{1}, \mathbf{b}_{2}, \mathbf{b}_{3} for Λ\Lambda^{*} in terms of the basis for Λ\Lambda.

A finite crystal consists of identical atoms at sites of Λ\Lambda given by

=n1a1+n2a2+n3a3 with 0ni<Ni\ell=n_{1} \mathbf{a}_{1}+n_{2} \mathbf{a}_{2}+n_{3} \mathbf{a}_{3} \quad \text { with } \quad 0 \leqslant n_{i}<N_{i}

A particle of mass mm scatters off the crystal; its wavevector is k\mathbf{k} before scattering and k\mathbf{k}^{\prime} after scattering, with k=k|\mathbf{k}|=\left|\mathbf{k}^{\prime}\right|. Show that the scattering amplitude in the Born approximation has the form

m2π2Δ(q)U~(q),q=kk-\frac{m}{2 \pi \hbar^{2}} \Delta(\mathbf{q}) \tilde{U}(\mathbf{q}), \quad \mathbf{q}=\mathbf{k}^{\prime}-\mathbf{k}

where U(x)U(\mathbf{x}) is the potential due to a single atom at the origin and Δ(q)\Delta(\mathbf{q}) depends on the crystal structure. [You may assume that in the Born approximation the amplitude for scattering off a potential V(x)V(\mathbf{x}) is (m/2π2)V~(q)-\left(m / 2 \pi \hbar^{2}\right) \tilde{V}(\mathbf{q}) where tilde denotes the Fourier transform.]

Derive an expression for Δ(q)|\Delta(\mathbf{q})| that is valid when eiqai1e^{-i \mathbf{q} \cdot \mathbf{a}_{i}} \neq 1. Show also that when q\mathbf{q} is a reciprocal lattice vector Δ(q)|\Delta(\mathbf{q})| is equal to the total number of atoms in the crystal. Comment briefly on the significance of these results.

Now suppose that Λ\Lambda is a face-centred-cubic lattice:

a1=a2(y^+z^),a2=a2(z^+x^),a3=a2(x^+y^)\mathbf{a}_{1}=\frac{a}{2}(\hat{\mathbf{y}}+\hat{\mathbf{z}}), \quad \mathbf{a}_{2}=\frac{a}{2}(\hat{\mathbf{z}}+\hat{\mathbf{x}}), \quad \mathbf{a}_{3}=\frac{a}{2}(\hat{\mathbf{x}}+\hat{\mathbf{y}})

where aa is a constant. Show that for a particle incident with k>2π/a|\mathbf{k}|>2 \pi / a, enhanced scattering is possible for at least two values of the scattering angle, θ1\theta_{1} and θ2\theta_{2}, related by

sin(θ1/2)sin(θ2/2)=32\frac{\sin \left(\theta_{1} / 2\right)}{\sin \left(\theta_{2} / 2\right)}=\frac{\sqrt{3}}{2}