Band structures of GaAs, InAs, and InP: A 34 k⋅p model

Abstract

The band structure of direct-band gap semiconductors (GaAs, InAs, InP) is described theoretically by using a 34×34 k⋅p model. We extend the sp3d5 basis functions by the inclusion of sV∗ orbitals. We find that the sp3d5s∗ k⋅p model is sufficient to describe the electronic structure of all materials investigated over a wide energy range, obviating the use of any d valence orbitals. Finally, our results show that Luttinger parameters, the κ valence band parameter, the effective Landé factor g∗, and the effective-masses in the X and L valleys are in good agreement with available experimental data. In particular, the adjustment of the k⋅p Hamiltonian parameters proved that g∗ of GaAs, InAs, and InP are, respectively, −0.41, −15.82, and 1.35, which are in good agreement with the experimental values of −0.44, −14.90, and 1.26.