Atomic structure and ordering in semiconductor alloys
- 15 February 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 31 (4), 2561-2564
- https://doi.org/10.1103/physrevb.31.2561
Abstract
Application of a first-principles local-density total-energy minimization method to both ordered and random models of a III-V semiconductor alloy shows a bimodal distribution of anion-cation bond lengths despite a close adherence to Vegard’s rule and predicts ordered intermediate phases to be the thermodynamically stable low-temperature ground state, whereas the disordered phase is shown to be metastable.Keywords
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