Rectangular free-electron band-overlap scale

ID: rectangular-free-electron-band-overlap-scale

For rectangular real-space periods , the free first-zone corner has energy , whereas the free second-zone minimum is . Their difference is the displayed overlap. A divalent spin-degenerate system is a band insulator only when the actual first-band maximum lies below the second-band minimum. A rigid symmetric splitting removes the overlap if , but an arbitrary periodic potential does not shift every corner and face by the same amount. The exact criterion uses the indirect band gap, not a geometry-only local direct-gap width.

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