Past exam of the mathematics course of the University of Cambridge / 2006 / ii / Paper 2 / 33D (Applications of Quantum Mechanics)

For a periodic potential, the Hamiltonian commutes with every lattice translation. The three primitive translations are commuting unitary operators, so within each energy eigenspace one can choose simultaneous translation eigenstates. Their eigenvalues have modulus one and can be written $e^{i\mathbf{k}\cdot {\mathbf{a}}_i}$. Translation by any lattice vector then givesThis proves Bloch's theorem in its eigenbasis form; arbitrary superpositions inside a degenerate eigenspace need not themselves have a single Bloch wavevector.

The reciprocal lattice consists of vectors $\mathbf{g}$ with $\mathbf{g}\cdot {\mathbf{a}}_i\in 2\pi \mathbb{Z}$. Changing $\mathbf{k}$ to $\mathbf{k}+\mathbf{g}$ and $u$ to $e^{-i\mathbf{g}\cdot \mathbf{r}}u$ gives the same physical wavefunction with a periodic new $u$. The eigenvalue problem on one cell has a discrete set of levels, giving bands indexed by $n$, and this equivalence yields $E_n(\mathbf{k}+\mathbf{g})=E_n(\mathbf{k})$. A reciprocal-lattice fundamental domain, conventionally a Brillouin zone, therefore labels inequivalent wavevectors.

Periodic boundary conditions in physical volume $\mathcal{V}$ give one allowed wavevector per reciprocal-space volume $(2\pi {)}^3/\mathcal{V}$. Including the two spin states, there are $2\mathcal{V}{d}^{3}k/(2\pi {)}^3$ states; per unit physical volume the count is the printed $2d^{3}k/(2\pi {)}^3$. Each occupied state carries charge $-e$ and velocity ${\hslash }^{-1}{\nabla }_k{E}_n$, soFor a full band, the integral of ${\nabla }_k{E}_n$ is a boundary integral. Opposite faces of a reciprocal fundamental cell have equal energies by periodicity and opposite normals, so their contributions cancel. Hence a full band carries zero electric current.