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Phys. Rev. B 31, 2561–2564 (1985)

Atomic structure and ordering in semiconductor alloys

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G. P. Srivastava, José Luis Martins, and Alex Zunger
Solar Energy Research Institute, Golden, Colorado 80401

See Also: Erratum

Received 15 October 1984; published in the issue dated 15 February 1985

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.

© 1985 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.31.2561
DOI:
10.1103/PhysRevB.31.2561
PACS:
61.55.Hg, 81.30.-t

See Also

Comment: M. Podgórny and M. T. Czyzyk, Comment on ‘‘Atomic structure and ordering in semiconducting alloys’’, Phys. Rev. B 36, 2897 (1987).

Erratum: G. P. Srivastava, José Luís Martins, and Alex Zunger, Erratum: Atomic structure and ordering in semiconductor alloys, Phys. Rev. B 38, 12694 (1988).

Reply: G. P. Srivastava, J. L. Martins, and Alex Zunger, Reply to ‘‘Comment on ‘Atomic structure and ordering in semiconductor alloys’ ’’, Phys. Rev. B 36, 2902 (1987).