Study of the Wurtzite-Type Binary Compounds. III. Valence Band Structure of BeO

Abstract

The LCAO approximation is applied toward a description of the valence band in BeO, in which only the closed shell Be(1s)²O(2p)⁶ configuration is considered. Thus no account is taken of the deformation of the oxygen valence electron distribution by the polarization field along the c axis of the wurtzite‐type crystal. The problem is solved along several lines of symmetry in the hexagonal brillouin zone. We find a band width of 18 ev with a depth of approximately 7 ev.