Valence band splitting in bulk dilute bismides

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

doi:10.1063/1.5005156

Valence band splitting in bulk dilute bismides

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

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

The electronic structure of bulk GaAs_1-_xBi_x 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 language	English (US)
Article number	182103
Journal	Applied Physics Letters
Volume	111
Issue number	18
DOIs	https://doi.org/10.1063/1.5005156
State	Published - Oct 30 2017
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.5005156

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title = "Valence band splitting in bulk dilute bismides",

abstract = "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.",

author = "Bannow, {Lars C.} and Badescu, {Stefan C.} and J{\"o}rg Hader and Moloney, {Jerome V.} and Koch, {Stephan W.}",

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doi = "10.1063/1.5005156",

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T1 - Valence band splitting in bulk dilute bismides

AU - Bannow, Lars C.

AU - Badescu, Stefan C.

AU - Hader, Jörg

AU - Moloney, Jerome V.

AU - Koch, Stephan W.

PY - 2017/10/30

Y1 - 2017/10/30

N2 - 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.

AB - 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.

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U2 - 10.1063/1.5005156

DO - 10.1063/1.5005156

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VL - 111

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 18

M1 - 182103

ER -

Valence band splitting in bulk dilute bismides

Abstract

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