Band Structure of Bismuth: Pseudopotential Approach

摘要: The electronic band structure of bismuth is studied by means a pseudopotential approach. Lin-Kleinman was adopted; its parameters were adjusted slightly to bring the into agreement with two known energy differences in bismuth. With this pseudopotential, along symmetry lines and planes calculated effective masses carriers are studied. good optical data effective-mass anisotropies, but magnitude may differ from experiment factor 3. Using experimental $g$ holes, we infer energy-level scheme at $T$ near ${E}_{F}$. Also, have tentatively identified higher-lying which has been experimentally observed. A very efficient method calculating nonlocal spin-orbit coupling terms $\mathbf{k}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{\ensuremath{\pi}}$ perturbation theory presented.