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First-principles calculations of the thermodynamic and structural properties of strained In x Ga 1 - x N and Al x Ga 1 - x N alloys

First-principles calculations of the thermodynamic and structural properties of strained In x Ga... We present first-principles calculations of the thermodynamic and structural properties of cubic In x Ga 1 - x N and Al x Ga 1 - x N alloys. They are based on the generalized quasichemical approach to disorder and composition effects and a pseudopotential-plane-wave approximation for the total energy. The cluster treatment is generalized to study the influence of biaxial strain. We find a remarkable suppression of phase separation in In x Ga 1 - x N . http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

First-principles calculations of the thermodynamic and structural properties of strained In x Ga 1 - x N and Al x Ga 1 - x N alloys

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Publisher
American Physical Society (APS)
Copyright
Copyright © 2000 The American Physical Society
ISSN
1095-3795
DOI
10.1103/PhysRevB.62.2475
Publisher site
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Abstract

We present first-principles calculations of the thermodynamic and structural properties of cubic In x Ga 1 - x N and Al x Ga 1 - x N alloys. They are based on the generalized quasichemical approach to disorder and composition effects and a pseudopotential-plane-wave approximation for the total energy. The cluster treatment is generalized to study the influence of biaxial strain. We find a remarkable suppression of phase separation in In x Ga 1 - x N .

Journal

Physical Review B – American Physical Society (APS)

Published: Jul 15, 2000

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