Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
- 15 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (8), 5566-5568
- https://doi.org/10.1103/physrevb.39.5566
Abstract
A general form is proposed for an empirical interatomic potential for multicomponent systems. This form interpolates between potentials for the respective elements to treat heteronuclear bonds. The approach is applied to C-Si and Si-Ge systems. In particular, the properties of SiC and its defects are well described.Keywords
This publication has 11 references indexed in Scilit:
- Empirical Interatomic Potential for Carbon, with Applications to Amorphous CarbonPhysical Review Letters, 1988
- Empirical interatomic potential for silicon with improved elastic propertiesPhysical Review B, 1988
- Microscopic atomic structure and stability of Si-Ge solid solutionsPhysical Review B, 1988
- Application of the Embedded-Atom Method to Covalent Materials: A Semiempirical Potential for SiliconPhysical Review Letters, 1987
- Abinitiopseudopotential study of structural and high-pressure properties of SiCPhysical Review B, 1987
- Development of a many-body Tersoff-type potential for siliconPhysical Review B, 1987
- Stability of Ordered Bulk and Epitaxial Semiconductor AlloysPhysical Review Letters, 1986
- New empirical model for the structural properties of siliconPhysical Review Letters, 1986
- Theory of static structural properties, crystal stability, and phase transformations: Application to Si and GePhysical Review B, 1982
- Simple Scheme for Deriving Atomic Force Constants: Application to SiCPhysical Review Letters, 1982