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• W2063604133 abstract "The introduction of defects, such as vacancies, into In${}_{x}$Ga${}_{1ensuremath{-}x}$As 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 In${}_{x}$Ga${}_{1ensuremath{-}x}$As 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 In${}_{x}$Ga${}_{1ensuremath{-}x}$As differ significantly from what would be expected by assuming a simple linear interpolation of the end member defect energies/volumes." @default.
• W2063604133 created "2016-06-24" @default.
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• W2063604133 date "2011-11-17" @default.
• W2063604133 modified "2023-09-27" @default.
• W2063604133 title "Phase stability and the arsenic vacancy defect in In<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mi>x</mml:mi></mml:msub></mml:math>Ga<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:math>As" @default.
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• W2063604133 doi "https://doi.org/10.1103/physrevb.84.184108" @default.
• W2063604133 hasPublicationYear "2011" @default.
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