Valence band splitting in bulk dilute bismides

Lars C. Bannow, Stefan C. Badescu, Jörg Hader, Jerome V. Moloney, Stephan W. Koch

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7 Scopus citations


The electronic structure of bulk GaAs1-xBix systems for different atomic configurations and Bi concentrations is calculated using density functional theory. The results show a Bi-induced splitting between the light-hole and heavy-hole bands at the Γ-point. We find a good agreement between our calculated splittings and experimental data. The magnitude of the splitting strongly depends on the local arrangement of the Bi atoms but not on the uni-directional lattice constant of the supercell. The additional influence of external strain due to epitaxial growth on GaAs substrates is studied by fixing the in-plane lattice constants.

Original languageEnglish (US)
Article number182103
JournalApplied Physics Letters
Issue number18
StatePublished - Oct 30 2017

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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