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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
materials science
Deviations from Vegard's law in ternary III-V alloys
Physical Review B - Condensed Matter and Materials Physics, Volume 82, No. 7, Article 073201, Year 2010
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Description
Vegard's law states that, at a constant temperature, the volume of an alloy can be determined from a linear interpolation of its constituent's volumes. Deviations from this description occur such that volumes are both greater and smaller than the linear relationship would predict. Here we use special quasirandom structures and density functional theory to investigate such deviations for Mx N1-x As ternary alloys, where M and N are group III species (B, Al, Ga, and In). Our simulations predict a tendency, with the exception of Alx Ga1-x As, for the volume of the ternary alloys to be smaller than that determined from the linear interpolation of the volumes of the M As and B As binary alloys. Importantly, we establish a simple relationship linking the relative size of the group III atoms in the alloy and the predicted magnitude of the deviation from Vegard's law. © 2010 The American Physical Society.
Authors & Co-Authors
Murphy, S. T.
United Kingdom, London
Imperial College London
Chroneos, Alexander I.
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
Grimes, Robin
United Kingdom, London
Imperial College London
Statistics
Citations: 87
Authors: 5
Affiliations: 3
Identifiers
Doi:
10.1103/PhysRevB.82.073201
ISSN:
10980121
e-ISSN:
1550235X