Theory of Quasiparticle Energies and Band Gaps: Application to Surface and Superlattices
23 October 1987
A unified theory of quasiparticle band energies is presented. It is based on first principles evaluation of the electron self energy operator including local fields in the screening of the Coulomb interaction as well as dynamical renormalization. The resulting band gap energies and dispersions are in excellent quantitative agreement with experimental spectra for simple metals, semiconductors and insulators. Emphasis will be placed on recent results for As capped Si and Ge surfaces and Si/Ge(001) strained layer superlattices.