Energy Band Structures of Selenium and Tellurium (Kohn‐Rostoker Method)

Abstract

Abstract The band structures of hexagonal Se and Te are calculated using a group theoretical treatment based on the Kohn‐Rostoker method. With certain assumptions the method yields continuous wave functions with continuous derivatives. The energy gaps agree qualitatively with experiment. The polarization dependence of optical transitions can be explained by the present band models. Hole effective masses are estimated, and it is found that m∥ is about four times as large as m∥ in both substances. The variation of the Se energy gap with pressure is investigated and found to fit experiments.