Electronic and optical properties of SnTe and GeTe

The structural properties, electronic energy band structure and some optical properties of the IV-VI compounds SnTe and GeTe are calculated using the full-potential linearized augmented plane wave method within the local density approximation and the generalized gradient approximation schemes. The calculations were also performed incorporating the effects of spin-orbit interactions. The calculated structural properties, energy band structures and optical spectra are in reasonable agreement with available experimental data. The response of the bandgaps to temperature and the presence of some prominent features in the energy bands as well as the dielectric functions are discussed. (author)