Paper 4, Section II, A

Applications of Quantum Mechanics
Part II, 2018

Define a Bravais lattice Λ\Lambda in three dimensions. Define the reciprocal lattice Λ\Lambda^{\star}. Define the Brillouin zone.

An FCC lattice has a basis of primitive vectors given by

a1=a2(e2+e3),a2=a2(e1+e3),a3=a2(e1+e2),\mathbf{a}_{1}=\frac{a}{2}\left(\mathbf{e}_{2}+\mathbf{e}_{3}\right), \quad \mathbf{a}_{2}=\frac{a}{2}\left(\mathbf{e}_{1}+\mathbf{e}_{3}\right), \quad \mathbf{a}_{3}=\frac{a}{2}\left(\mathbf{e}_{1}+\mathbf{e}_{2}\right),

where ei\mathbf{e}_{i} is an orthonormal basis of R3\mathbb{R}^{3}. Find a basis of reciprocal lattice vectors. What is the volume of the Brillouin zone?

The asymptotic wavefunction for a particle, of wavevector k\mathbf{k}, scattering off a potential V(r)V(\mathbf{r}) is

ψ(r)eikr+fV(k;k)eikrr\psi(\mathbf{r}) \sim e^{i \mathbf{k} \cdot \mathbf{r}}+f_{\mathrm{V}}\left(\mathbf{k} ; \mathbf{k}^{\prime}\right) \frac{e^{i k r}}{r}

where k=kr^\mathbf{k}^{\prime}=k \hat{\mathbf{r}} and fV(k;k)f_{\mathrm{V}}\left(\mathbf{k} ; \mathbf{k}^{\prime}\right) is the scattering amplitude. Give a formula for the Born approximation to the scattering amplitude.

Scattering of a particle off a single atom is modelled by a potential V(r)=V0δ(rd)V(\mathbf{r})=V_{0} \delta(r-d) with δ\delta-function support on a spherical shell, r=r=dr=|\mathbf{r}|=d centred at the origin. Calculate the Born approximation to the scattering amplitude, denoting the resulting expression as f~V(k;k)\tilde{f}_{V}\left(\mathbf{k} ; \mathbf{k}^{\prime}\right).

Scattering of a particle off a crystal consisting of atoms located at the vertices of a lattice Λ\Lambda is modelled by a potential

VΛ=RΛV(rR)V_{\Lambda}=\sum_{\mathbf{R} \in \Lambda} V(\mathbf{r}-\mathbf{R})

where V(r)=V0δ(rd)V(\mathbf{r})=V_{0} \delta(r-d) as above. Calculate the Born approximation to the scattering amplitude giving your answer in terms of your approximate expression f~V\tilde{f}_{\mathrm{V}} for scattering off a single atom. Show that the resulting amplitude vanishes unless the momentum transfer q=kk\mathbf{q}=\mathbf{k}-\mathbf{k}^{\prime} lies in the reciprocal lattice Λ\Lambda^{\star}.

For the particular FCC lattice considered above, show that, when k=k>2π/ak=|\mathbf{k}|>2 \pi / a, scattering occurs for two values of the scattering angle, θ1\theta_{1} and θ2\theta_{2}, related by

sin(θ12)sin(θ22)=23\frac{\sin \left(\frac{\theta_{1}}{2}\right)}{\sin \left(\frac{\theta_{2}}{2}\right)}=\frac{2}{\sqrt{3}}