Half-occupation approach for the ab initio calculation of strained Ga(AsSb)/GaAs valence band offsets

Maria J. Weseloh; Jan Oliver Oelerich; Stephan W. Koch

doi:10.1063/5.0001300

Half-occupation approach for the ab initio calculation of strained Ga(AsSb)/GaAs valence band offsets

Maria J. Weseloh, Jan Oliver Oelerich, Stephan W. Koch

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

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Abstract

An ab initio based scheme for the determination of the valence band offset between different III-V semiconductor systems is presented on the example of GaAs and Ga(AsSb) pseudomorphically strained to GaAs for Sb concentrations up to 37.5%. Modified core-to-valence band maximum calculations are used in combination with the half-occupation technique. The valence band offsets between GaAs and Ga(AsSb) are needed for the predictive design of optically active quantum well heterostructures emitting in the near-infrared region of the electromagnetic spectrum.

Original language	English (US)
Article number	045207
Journal	AIP Advances
Volume	10
Issue number	4
DOIs	https://doi.org/10.1063/5.0001300
State	Published - Apr 1 2020
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy

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title = "Half-occupation approach for the ab initio calculation of strained Ga(AsSb)/GaAs valence band offsets",

abstract = "An ab initio based scheme for the determination of the valence band offset between different III-V semiconductor systems is presented on the example of GaAs and Ga(AsSb) pseudomorphically strained to GaAs for Sb concentrations up to 37.5%. Modified core-to-valence band maximum calculations are used in combination with the half-occupation technique. The valence band offsets between GaAs and Ga(AsSb) are needed for the predictive design of optically active quantum well heterostructures emitting in the near-infrared region of the electromagnetic spectrum.",

author = "Weseloh, {Maria J.} and Oelerich, {Jan Oliver} and Koch, {Stephan W.}",

note = "Funding Information: We thank Lars Bannow and Kerstin Volz for useful discussions. This work was financially supported by the German Research Foundation (DFG) in the framework of No. GRK 1782 and the Collaborative Research Center, Grant No. SFB 1083. Publisher Copyright: {\textcopyright} 2020 Author(s).",

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doi = "10.1063/5.0001300",

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T1 - Half-occupation approach for the ab initio calculation of strained Ga(AsSb)/GaAs valence band offsets

AU - Weseloh, Maria J.

AU - Oelerich, Jan Oliver

AU - Koch, Stephan W.

N1 - Funding Information: We thank Lars Bannow and Kerstin Volz for useful discussions. This work was financially supported by the German Research Foundation (DFG) in the framework of No. GRK 1782 and the Collaborative Research Center, Grant No. SFB 1083. Publisher Copyright: © 2020 Author(s).

PY - 2020/4/1

Y1 - 2020/4/1

N2 - An ab initio based scheme for the determination of the valence band offset between different III-V semiconductor systems is presented on the example of GaAs and Ga(AsSb) pseudomorphically strained to GaAs for Sb concentrations up to 37.5%. Modified core-to-valence band maximum calculations are used in combination with the half-occupation technique. The valence band offsets between GaAs and Ga(AsSb) are needed for the predictive design of optically active quantum well heterostructures emitting in the near-infrared region of the electromagnetic spectrum.

AB - An ab initio based scheme for the determination of the valence band offset between different III-V semiconductor systems is presented on the example of GaAs and Ga(AsSb) pseudomorphically strained to GaAs for Sb concentrations up to 37.5%. Modified core-to-valence band maximum calculations are used in combination with the half-occupation technique. The valence band offsets between GaAs and Ga(AsSb) are needed for the predictive design of optically active quantum well heterostructures emitting in the near-infrared region of the electromagnetic spectrum.

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Half-occupation approach for the ab initio calculation of strained Ga(AsSb)/GaAs valence band offsets

Abstract

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