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Phys. Rev. Lett. 56, 1400–1403 (1986)

Stability of Ordered Bulk and Epitaxial Semiconductor Alloys

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José Luis Martins* and Alex Zunger
Solar Energy Research Institute, Golden, Colorado 80401

Received 5 December 1985; published in the issue dated 31 March 1986

Using first-principles self-consistent total-energy calculations for unconstrained and epitaxially confined models of Si-C and Si-Ge alloys we study the general classes of stability of ordered phases of semiconductor alloys. The unusual ordering observed in SiGe grown on a Si substrate is explained.

© 1986 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.56.1400
DOI:
10.1103/PhysRevLett.56.1400
PACS:
61.55.Hg, 61.50.Ks, 73.60.Fw

*Present address: Department of Physics, University of California, Berkeley, Cal. 94720.