A Pseudopotential Band Structure Calculation of Bismuth, Antimony, and Their Alloys

A semiempirical pseudopotential band structure calculation with account of spin—orbit‐interaction is performed for Bi, Sb, and Bi 1− x Sb x alloys considering the alloy potential in the framework of VCA. The parameter of Fermi surfaces are evaluated on the basis of the calculated energies. The resulting Fermi surfaces of the pure elements correspond better to experimental data than those of previous work. The composition dependences as well of gap and overlap as the Fermi surface dimensions agree qualitatively with the measured dependences.