Environment-dependent tight-binding potential model
Physical review. B, Condensed matter1996Vol. 53(3), pp. 979–982
Citations Over TimeTop 10% of 1996 papers
Abstract
We present a tight-binding model which goes beyond the traditional two-center approximation and allows the hopping parameters and the repulsive energy to be dependent on the binding environment. Using carbon as an example, we show that the approach improves remarkably the transferability of the tight-binding model. The properties of the higher-coordinated metallic structures are well described by the model in addition to those of the lower-coordinated covalent structures. \textcopyright{} 1996 The American Physical Society.
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