Abstract
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.
Original language | English (US) |
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Pages (from-to) | 11873-11883 |
Number of pages | 11 |
Journal | Physical Review B |
Volume | 43 |
Issue number | 14 |
DOIs | |
State | Published - 1991 |
Externally published | Yes |
ASJC Scopus subject areas
- Condensed Matter Physics