Analytic bond-order potential for atomistic simulations of zinc oxide
作者： Paul Erhart , Niklas Juslin , Oliver Goy , Kai Nordlund , Ralf Müller
DOI: 10.1088/0953-8984/18/29/003
关键词:
摘要: An interatomic potential for zinc oxide and its elemental constituents is derived based on an analytical bond-order formalism. The model potential provides a good description of the bulk …
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