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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
materials science
Phase stability and the arsenic vacancy defect in In
x
Ga
1-x
As
Physical Review B - Condensed Matter and Materials Physics, Volume 84, No. 18, Article 184108, Year 2011
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Description
The introduction of defects, such as vacancies, into InxGa 1-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. © 2011 American Physical Society.
Authors & Co-Authors
Murphy, S. T.
United Kingdom, London
Imperial College London
Chroneos, Alexander I.
United Kingdom, London
Imperial College London
Grimes, Robin
United Kingdom, London
Imperial College London
Jiang, Chao
United States, Los Alamos
Los Alamos National Laboratory Materials Science and Technology Division
Schwingenschlögl, Udo Erich
Saudi Arabia, Thuwal
King Abdullah University of Science and Technology
Statistics
Citations: 25
Authors: 5
Affiliations: 3
Identifiers
Doi:
10.1103/PhysRevB.84.184108
ISSN:
10980121
e-ISSN:
1550235X