Monte Carlo studies of unmixing in semiconductor alloys: Effects of elastic degrees of freedom
- Univ. of Georgia, Athens, GA (United States). Center for Simulational Physics
A statistical-mechanical model of binary semiconductor alloys, consisting of a distortable diamond lattice whose sites may be occupied by A atoms, B atoms, or vacancies, is studied by constant pressure Monte Carlo simulations. The model allows for atomic displacements governed by the Keating valence force field. The interplay between the chemical and translational degrees of freedom shows up in the form of the unmixing phase diagram of a system whose parameters were chosen in an attempt to mimic a Si-Ge alloy. The critical behavior of the unmixing transition is studied by a multi histogram data analysis and found to be Mean Field-like. Vegard`s law is verified but the Keating potential leads to a negative coefficient of thermal expansion.
- OSTI ID:
- 72410
- Report Number(s):
- CONF-9310224-; ISBN 0-87339-249-3; TRN: IM9530%%22
- Resource Relation:
- Conference: Materials Week `93, Pittsburgh, PA (United States), 17-21 Oct 1993; Other Information: PBD: 1994; Related Information: Is Part Of Alloy modeling and design; Stocks, G.M. [ed.] [Oak Ridge National Lab., Oak Ridge, TN (United States). Metals and Ceramics Div.]; Turchi, P.E.A. [ed.] [Lawrence Livermore National Lab., Livermore, CA (United States)]; PB: 334 p.
- Country of Publication:
- United States
- Language:
- English
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