2002
DOI: 10.1088/0965-0393/10/4/303
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Atomistic potential for TaSi system: application to low-index interfaces

Abstract: Interatomic potential for a tantalum-silicon (Ta-Si) system is developed. The interaction between atoms is described with the modified embedded atom method. Existing potentials for the Ta and Si subsystems are used, and the inter-type interaction is described following the principles described in the literature. Some properties of the model (for TaSi2 and Ta5Si3) are compared with experimental data. The potential is used to calculate the energies of several low-index Ta-Si interfaces, which are generated by at… Show more

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