Phys. Rev. B 43, 11873–11883 (1991)Structural model for pseudobinary semiconductor alloysReceived 29 November 1990; published in the issue dated 15 May 1991 Using the Keating valence-force-field model with large periodic supercells, we analyze the structural relaxations of pseudobinary III-V and II-VI semiconductor alloys. We quantitatively predict the dependence of bond lengths and second-neighbor distances on alloy composition, and show that the multimodal distributions of second-neighbor distances may be explained in terms of a simple set of local geometries. Intrinsic alloy broadening of bond-length distributions is also calculated and compared with experimentally measured values. © 1991 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.43.11873
DOI:
10.1103/PhysRevB.43.11873
PACS:
61.50.Lt, 61.55.Hg, 61.70.Le, 64.75.+g
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