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- W2019006919 endingPage "035802" @default.
- W2019006919 startingPage "035802" @default.
- W2019006919 abstract "An interatomic potential has been developed to describe interactions in silicon, carbon and silicon carbide, based on the environment-dependent interatomic potential (EDIP) (Bazant et al 1997 Phys. Rev. B 56 8542). The functional form of the original EDIP has been generalized and two sets of parameters have been proposed. Tests with these two potentials have been performed for many properties of SiC, including bulk properties, high-pressure phases, point and extended defects, and amorphous structures. One parameter set allows us to keep the original EDIP formulation for silicon, and is shown to be well suited for modelling irradiation-induced effects in silicon carbide, with a very good description of point defects and of the disordered phase. The other set, including a new parametrization for silicon, has been shown to be efficient for modelling point and extended defects, as well as high-pressure phases." @default.
- W2019006919 created "2016-06-24" @default.
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- W2019006919 creator A5061643219 @default.
- W2019006919 creator A5079963822 @default.
- W2019006919 date "2009-12-21" @default.
- W2019006919 modified "2023-09-26" @default.
- W2019006919 title "An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures" @default.
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- W2019006919 doi "https://doi.org/10.1088/0953-8984/22/3/035802" @default.
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