Antisites and anisotropic diffusion in GaAs and GaSb

H. A. Tahini; H. Bracht; Alexander Chroneos; R. W. Grimes; S. T. Murphy; Udo Schwingenschlögl

doi:10.1063/1.4824126

Antisites and anisotropic diffusion in GaAs and GaSb

H. A. Tahini, H. Bracht, Alexander Chroneos, R. W. Grimes, S. T. Murphy, Udo Schwingenschlögl

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

10 Scopus citations

Abstract

The significant diffusion of Ga under Ga-rich conditions in GaAs and GaSb is counter intuitive as the concentration of Ga vacancies should be depressed although Ga vacancies are necessary to interpret the experimental evidence for Ga transport. To reconcile the existence of Ga vacancies under Ga-rich conditions, transformation reactions have been proposed. Here, density functional theory is employed to calculate the formation energies of vacancies on both sublattices and the migration energy barriers to overcome the formation of the vacancy-antisite defect. Transformation reactions enhance the vacancy concentration in both materials and migration energy barriers indicate that Ga vacancies will dominate.

Original language	English (US)
Pages (from-to)	142107
Journal	Applied Physics Letters
Volume	103
Issue number	14
DOIs	https://doi.org/10.1063/1.4824126
State	Published - Oct 2 2013

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This publication was based on research partially supported by King Abdullah University for Science and Technology (KAUST). Computing resources were provided by the Shaheen supercomputer at KAUST and the High Performance Computing (HPC) facility of Imperial College London.

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.4824126

https://repository.kaust.edu.sa/bitstream/10754/315753/1/Antisites%20and%20anisotropic%20diffusion%20in%20GaAs%20and%20GaSb.pdf

Cite this

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title = "Antisites and anisotropic diffusion in GaAs and GaSb",

abstract = "The significant diffusion of Ga under Ga-rich conditions in GaAs and GaSb is counter intuitive as the concentration of Ga vacancies should be depressed although Ga vacancies are necessary to interpret the experimental evidence for Ga transport. To reconcile the existence of Ga vacancies under Ga-rich conditions, transformation reactions have been proposed. Here, density functional theory is employed to calculate the formation energies of vacancies on both sublattices and the migration energy barriers to overcome the formation of the vacancy-antisite defect. Transformation reactions enhance the vacancy concentration in both materials and migration energy barriers indicate that Ga vacancies will dominate.",

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AU - Tahini, H. A.

AU - Bracht, H.

AU - Chroneos, Alexander

AU - Grimes, R. W.

AU - Murphy, S. T.

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: This publication was based on research partially supported by King Abdullah University for Science and Technology (KAUST). Computing resources were provided by the Shaheen supercomputer at KAUST and the High Performance Computing (HPC) facility of Imperial College London.

PY - 2013/10/2

Y1 - 2013/10/2

N2 - The significant diffusion of Ga under Ga-rich conditions in GaAs and GaSb is counter intuitive as the concentration of Ga vacancies should be depressed although Ga vacancies are necessary to interpret the experimental evidence for Ga transport. To reconcile the existence of Ga vacancies under Ga-rich conditions, transformation reactions have been proposed. Here, density functional theory is employed to calculate the formation energies of vacancies on both sublattices and the migration energy barriers to overcome the formation of the vacancy-antisite defect. Transformation reactions enhance the vacancy concentration in both materials and migration energy barriers indicate that Ga vacancies will dominate.

AB - The significant diffusion of Ga under Ga-rich conditions in GaAs and GaSb is counter intuitive as the concentration of Ga vacancies should be depressed although Ga vacancies are necessary to interpret the experimental evidence for Ga transport. To reconcile the existence of Ga vacancies under Ga-rich conditions, transformation reactions have been proposed. Here, density functional theory is employed to calculate the formation energies of vacancies on both sublattices and the migration energy barriers to overcome the formation of the vacancy-antisite defect. Transformation reactions enhance the vacancy concentration in both materials and migration energy barriers indicate that Ga vacancies will dominate.

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Antisites and anisotropic diffusion in GaAs and GaSb

Abstract

Bibliographical note

ASJC Scopus subject areas

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