Invariant expansion of the 30-band k.p model and its parameters for III-V compounds

Abstract

In this work we derive a ready-to-use symmetry invariant expansion of the full-zone 30-band k.p Hamiltonian for the Td point group. In order to find respective parameters, the band structures of III-V materials were calculated within a state-of-the-art Density Functional Theory (DFT) approach and used next as targets to adjust the k.p bands. A satisfactory agreement of the k.p model with the DFT band structures, for all the tested zinc blende III-V semiconductors, has been achieved. Values of many of the parameters have not been known so far. We also compare the fitted k.p parameters with the values calculated using momentum matrix elements obtained directly from the DFT.

References in corpus (4)

• Quasiparticle self-consistent $GW$ method; a basis for the independent-particle approximation
• Basic Physical Properties of Cubic Boron Arsenide
• Photoluminescence mapping and time-domain thermo-photoluminescence for rapid imaging and measurement of thermal conductivity of boron arsenide
• Stability and accuracy control of $\mathbf{k}\cdot \mathbf{p}$ parameters