(a) Consider the nearly free electron model in one dimension with mass m and periodic potential V(x)=λU(x) with 0<λ≪1 and
U(x)=l=−∞∑∞Ulexp(a2πilx)
Ignoring degeneracies, the energy spectrum of Bloch states with wavenumber k is
E(k)=E0(k)+λ⟨k∣U∣k⟩+λ2k′=k∑E0(k)−E0(k′)⟨k∣U∣k′⟩⟨k′∣U∣k⟩+O(λ3)
where {∣k⟩} are normalized eigenstates of the free Hamiltonian with wavenumber k. What is E0 in this formula?
If we impose periodic boundary conditions on the wavefunctions, ψ(x)=ψ(x+L) with L=Na and N a positive integer, what are the allowed values of k and k′ ? Determine ⟨k∣U∣k′⟩ for these allowed values.
(b) State when the above expression for E(k) ceases to be a good approximation and explain why. Quoting any result you need from degenerate perturbation theory, calculate to O(λ) the location and width of the band gaps.
(c) Determine the allowed energy bands for each of the potentials
(i) V(x)=2λcos(a2πx), (ii) V(x)=λan=−∞∑∞δ(x−na).
(d) Briefly discuss a macroscopic physical consequence of the existence of energy bands.