FPLAPW investigations of electronic properties of IIB0VI tellurides in the generalized gradient approximation

The electronic properties of zinc-blend ZnTe, CdTe and HgTe are systematically investigated using the FLAPW approach. We find that the essential features of density of states, the influence of d electrons on the band structure, and electronic charge distributions are insensitive to the choice of exchange-correlation potential. Some calculated fundamental parameters show an agreement with experimental and theoretical results.