Electronic structure of PbSe and PbTe. I. Band structures, densities of states, and effective masses

Abstract

We present new improved pseudopotential calculations for PbSe and PbTe using several nonlocal corrections in addition to the local empirical pseudopotential. We discuss results for effective masses, Knight-shift measurements, and recent photoemission measurements. In addition to the optical properties in an energy range from 0 to 20 eV (which will be discussed in a subsequent paper), all the above experimental results can for the first time be explained consistently using one band-structure model.