Treatment of the electronic structure of the F+ centre in some 11‐VI semiconductors in an effective‐charge point‐ion‐lattice approximation

Abstract

AbstractThe ground and first cxcited state energies of the singly electron occupied anion vacancy (F+ centre) in xincblende and wurtzite II‐VI semiconductors are calculated in a point‐ion‐lattice approximation in which the partially ionic binding character of these compounds is accounted for by introducing an effcctive ionic charge. Restricting to the spherically symmetric component of the defect potential and using hydrogenic 1s and 2p trial functions, the energies and the Corresponding Bohr radii of the F+ centre electron are given as a function of the effcctive ionic charge. Taking appropriate values for the effective ionic charge and for the position of the conduction band with respect to the vacuum level, the location of the ground and excited state levels with respect to the conduction band, the optical transition energies, as well as the corresponding Bohr radii are estimated for CdS, ZnS, and ZnO.