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- W2006393669 endingPage "095002" @default.
- W2006393669 startingPage "095002" @default.
- W2006393669 abstract "Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge-charge, charge-dipole and dipole-dipole interactions as well as covalent bond bending and stretching. Predictions are made for the elastic constants as a function of density and temperature, the generalized stacking fault energy and the low-index surface energies." @default.
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- W2006393669 date "2009-01-29" @default.
- W2006393669 modified "2023-10-03" @default.
- W2006393669 title "Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies" @default.
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- W2006393669 doi "https://doi.org/10.1088/0953-8984/21/9/095002" @default.
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