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- W1968030009 abstract "The structural and dynamical properties of zinc-blende BAs are calculated within a three-body Tersoff potential coupled with a molecular-dynamics simulation scheme for temperatures ranging from 300 to 900 K. A good agreement between the calculated and the available theoretical data of the lattice constant, bulk modulus and its derivative and the cohension energy are obtained. We have also calculated the lattice thermal expansion, and specific heat. The structural properties of BAs in the rocksalt structure are also studied and compared with other works." @default.
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- W1968030009 date "1999-02-01" @default.
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- W1968030009 title "Atomistic study of zinc-blende BAs from molecular dynamics" @default.
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- W1968030009 doi "https://doi.org/10.1016/s0375-9601(99)80004-8" @default.
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