Energy-band structure of GaAs and Si: A sps* kp method

Nicolas Cavassilas, Frédéric Aniel, Kais Boujdaria, and Guy Fishman
Phys. Rev. B 64, 115207 – Published 31 August 2001
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Abstract

A twenty-band kp Hamiltonian taking into account the spin-orbit coupling is used to describe the valence band and the first two conduction bands all over the Brillouin zone. The basis functions are sp3s*-like functions used in linear combination of atomic orbitals. To get the right dispersion up to the Brillouin zone edge, the influence of other bands (d bands) is mimicked via Luttinger-like parameters in the valence band and in the conduction band. The method is applied to GaAs and Si. A satisfying agreement is obtained near the band extrema as well in the direct gap semiconductor (GaAs) as in the indirect gap semiconductor (Si). In particular, while the kp Hamiltonian parameters are adjusted to get the longitudinal mass 0.92 of the silicon conduction band, the transverse mass, which results from the calculation without further adjustment, is equal to 0.19 which is the experimental value.

  • Received 2 March 2001

DOI:https://doi.org/10.1103/PhysRevB.64.115207

©2001 American Physical Society

Authors & Affiliations

Nicolas Cavassilas1, Frédéric Aniel1, Kais Boujdaria2, and Guy Fishman1

  • 1Institut d’Electronique Fondamentale, UMR 8622 CNRS, Université Paris Sud, 91405 Orsay Cedex, France
  • 2Département de Physique, Faculté des Sciences de Bizerte, Université de Tunis II, 7021 Zarzouna, Bizerte, Tunisia

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Vol. 64, Iss. 11 — 15 September 2001

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