RELATIVISTIC BAND STRUCTURE OF GeTe, SnTe, PbTe, PbSe, AND PbS

Frank Herman , Richard Kortum , Irene Ortenburger , John P. van Dyke

Relativistic OPW band calculations have been carried out at key points in the reduced zone for several IV-VI compounds. The band structure in the remainder of the zone has been filled in with the aid of an interpolation scheme. To our knowledge, these are the first fully relativistic first-principles band calculations for IV-VI compounds (in contrast to non-relativistic calculations supplemented by relativistic and spin-orbit coupling corrections). Our first-principles band calculations lead to physically realistic energy band models which are sufficiently accurate to account for most of the characteristic features of the experimental reflectivity spectra. It is difficult to interpret the electroreflectivity spectra unambiguously in terms of these band models but a number of plausible spectral assignments can be made. Refined energy band and optical spectrum calculations are in progress and will be reported elsewhere.

Domaines: Articles anciens

Frank Herman, Richard Kortum, Irene Ortenburger, John P. van Dyke. RELATIVISTIC BAND STRUCTURE OF GeTe, SnTe, PbTe, PbSe, AND PbS. Journal de Physique Colloques, 1968, 29 (C4), pp.C4-62-C4-77. ⟨10.1051/jphyscol:1968410⟩. ⟨jpa-00213614⟩