Electronic structure of Sr monochalcogenides

Abstract

Reports some results of a non-relativistic, self-consistent APW calculation of the electronic energy band structure for a series of Sr monochalcogenides, i.e. SrO, SrS, SrSe and SrTe, with the Slater exchange potential. The trend of the calculated results for the energy gap between the conduction and valence bands agrees well with the experimental results obtained by optical absorption measurements. Quantitatively, however, this calculation leads to values of the energy gap which are too small.