Past exam of the quantum condensed matter course of the University of Cambridge / 2013 / 1 / b / Solution

In the nearly-free electron model, the free parabola ${\epsilon }_k^0={\hslash }^2{k}^2/(2m)$ is coupled to copies shifted by reciprocal wavevectors $G=2\pi /a$. The first degeneracy is at $k=\pm \pi /a$, where the counterpropagating waves have equal kinetic energy. Retaining their coupling gives two branchesConsequently a nonzero Fourier component $V_G$ opens a gap $\boxed{\Delta E=2|V_G|}$ at the zone edge. The dispersion remains approximately free-electron-like away from the crossing, but the branches avoid crossing and their slopes flatten at the band edges. The horizontal axis can be labeled either wavevector $k$, with edges at $\pm \pi /a$, or physical momentum $p=\hslash k$, with edges at $\pm \pi \hslash /a$.

At the edge, an appropriate choice of spatial origin makes $V_G$ real. The eigenstates are equal-weight standing waves. In a normalization length $L$ containing an integer number of periods, representative real forms areThey come from the sum and difference of $e^{i\pi x/a}$ and $e^{-i\pi x/a}$, up to a global phase. Their densities have maxima and nodes displaced by $a/2$ relative to one another. Both wavefunctions change sign under translation by $a$, as required by their zone-edge Bloch phase, while their densities are lattice-periodic.

For the figure's choice $V(x)=2V_G\cos (2\pi x/a)$ with $V_G<0$, the potential minima occur at $x=na$. The cosine state puts density there and is lower, while the sine state puts a node there and is higher. Reversing the potential's phase relative to the coordinate origin exchanges that assignment. Since the question supplies only the spatial period, it fixes the zone-edge locations and qualitative standing-wave structure, but not a numerical gap or an origin-independent choice of which drawn sine/cosine is lower.