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...
Автор: | Kamenski, P |
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Інші автори: | Pettifor, D |
Формат: | Дисертація |
Мова: | English |
Опубліковано: |
2011
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Предмети: |
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