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Phase stability and the arsenic vacancy defect in InxGa1-xAs

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Phase stability and the arsenic vacancy defect in InxGa1-xAs. / Murphy, S. T.; Chroneos, A.; Grimes, R. W. et al.
In: Physical review B, Vol. 84, No. 18, 184108, 17.11.2011.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Murphy, ST, Chroneos, A, Grimes, RW, Jiang, C & Schwingenschloegl, U 2011, 'Phase stability and the arsenic vacancy defect in InxGa1-xAs', Physical review B, vol. 84, no. 18, 184108. https://doi.org/10.1103/PhysRevB.84.184108

APA

Murphy, S. T., Chroneos, A., Grimes, R. W., Jiang, C., & Schwingenschloegl, U. (2011). Phase stability and the arsenic vacancy defect in InxGa1-xAs. Physical review B, 84(18), Article 184108. https://doi.org/10.1103/PhysRevB.84.184108

Vancouver

Murphy ST, Chroneos A, Grimes RW, Jiang C, Schwingenschloegl U. Phase stability and the arsenic vacancy defect in InxGa1-xAs. Physical review B. 2011 Nov 17;84(18):184108. doi: 10.1103/PhysRevB.84.184108

Author

Murphy, S. T. ; Chroneos, A. ; Grimes, R. W. et al. / Phase stability and the arsenic vacancy defect in InxGa1-xAs. In: Physical review B. 2011 ; Vol. 84, No. 18.

Bibtex

@article{0552809a5381415f9ae7e30e80138710,
title = "Phase stability and the arsenic vacancy defect in InxGa1-xAs",
abstract = "The introduction of defects, such as vacancies, into InxGa1-xAs can have a dramatic impact on the physical and electronic properties of the material. Here we employ ab initio simulations of quasirandom supercells to investigate the structure of InxGa1-xAs and then examine the energy and volume changes associated with the introduction of an arsenic vacancy defect. We predict that both defect energies and volumes for intermediate compositions of InxGa1-xAs differ significantly from what would be expected by assuming a simple linear interpolation of the end member defect energies/volumes.",
keywords = "MOLECULAR-DYNAMICS, SOLID-SOLUTIONS, POINT-DEFECTS, GAAS, SEMICONDUCTORS, ENTHALPIES, DIFFUSION, SYSTEMS, ALLOYS, GAP",
author = "Murphy, {S. T.} and A. Chroneos and Grimes, {R. W.} and C. Jiang and U. Schwingenschloegl",
year = "2011",
month = nov,
day = "17",
doi = "10.1103/PhysRevB.84.184108",
language = "English",
volume = "84",
journal = "Physical review B",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "18",

}

RIS

TY - JOUR

T1 - Phase stability and the arsenic vacancy defect in InxGa1-xAs

AU - Murphy, S. T.

AU - Chroneos, A.

AU - Grimes, R. W.

AU - Jiang, C.

AU - Schwingenschloegl, U.

PY - 2011/11/17

Y1 - 2011/11/17

N2 - The introduction of defects, such as vacancies, into InxGa1-xAs can have a dramatic impact on the physical and electronic properties of the material. Here we employ ab initio simulations of quasirandom supercells to investigate the structure of InxGa1-xAs and then examine the energy and volume changes associated with the introduction of an arsenic vacancy defect. We predict that both defect energies and volumes for intermediate compositions of InxGa1-xAs differ significantly from what would be expected by assuming a simple linear interpolation of the end member defect energies/volumes.

AB - The introduction of defects, such as vacancies, into InxGa1-xAs can have a dramatic impact on the physical and electronic properties of the material. Here we employ ab initio simulations of quasirandom supercells to investigate the structure of InxGa1-xAs and then examine the energy and volume changes associated with the introduction of an arsenic vacancy defect. We predict that both defect energies and volumes for intermediate compositions of InxGa1-xAs differ significantly from what would be expected by assuming a simple linear interpolation of the end member defect energies/volumes.

KW - MOLECULAR-DYNAMICS

KW - SOLID-SOLUTIONS

KW - POINT-DEFECTS

KW - GAAS

KW - SEMICONDUCTORS

KW - ENTHALPIES

KW - DIFFUSION

KW - SYSTEMS

KW - ALLOYS

KW - GAP

U2 - 10.1103/PhysRevB.84.184108

DO - 10.1103/PhysRevB.84.184108

M3 - Journal article

VL - 84

JO - Physical review B

JF - Physical review B

SN - 1098-0121

IS - 18

M1 - 184108

ER -