Full-potential optical calculations of lead chalcogenides

摘要

We report on ab initio calculations of the optical properties of the lead chalcogenides PbS, PbSe, and PbTe performed with a relativistic full-potential linear muffin-tin orbital method within the local density approximation. Our calculated spectra are in excellent agreement with recent ellipsometry measurements. The origin of the peaks in the spectra is discussed: as well as the effects of increasing the chalcogen atomic number. (C) 1998 John Wiley & Sons, Inc. [References: 39]