Orthogonal tight binding model for silicon carbide

A new orthogonal tight binding (OTB) model for the silicon carbide (Si-C) system is presented. The model is parameterized in the reduced TB form which provides a critical step towards the development of an analytic bond-order potential (BOP) for Si-C. Coarse-grained from density functional theory (D...

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Bibliografski detalji
Glavni autor: Kamenski, P
Daljnji autori: Pettifor, D
Format: Disertacija
Jezik:English
Izdano: 2011
Teme: