Investigation of Energy-Band Structures and Electronic Properties of PbS and PbSe

Abstract

The augmented-plane-wave method is used to calculate the energy-band structure of PbS and PbSe. The relativistic mass-velocity, Darwin, and spin-orbit interaction corrections are taken into account. The resulting wave functions are used to calculate the matrix elements of momentum, which are then used in a k. p perturbation scheme to obtain effective masses and $g$ factors. Previous calculation of $g$ factors for PbTe is corrected. The effect of strain on energy bands of PbS and PbSe is calculated using the deformation-potential theory. The energy bands obtained, as well as the calculated electronic properties of these materials, are in good agreement with other theoretical and experimental investigations.