Square-lattice band-overlap criterion with diagonal Fourier coupling

ID: square-lattice-band-overlap-criterion-with-diagonal-fourier-coupling

For a divalent square Bravais lattice, let and real periodic potential coefficients . The leading two-wave edge levels are . The four-wave corner levels are and a doublet at . Comparing the lowest corner level with the upper edge level gives the displayed indirect band gap. The first spin-degenerate energy band can hold the two electrons per primitive unit cell; it becomes isolated when in this truncation. This follows from resonant degenerate perturbation theory, and higher plane waves can shift the threshold.

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