Energy Band Structure in Silicon Crystals by the Orthogonalized Plane-Wave Method

Abstract

The values of the energies at the point $\mathrm{K}=2\mathrm{}\pi a^{-1\mathrm{}}(1, 0, 0)$ are calculated in Si by the orthogonalized plane-wave method. The curves of energy versus K are drawn in the [100] direction. The results are in agreement with the fact that Si is an insulator. They also indicate that the minimum of the lowest conduction band lies near the surface of the zone.