Forked from wmedlar/Tight-Binding Calculation of the Band Structure of Silicon.ipynb
Created
May 3, 2016 04:27
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The band structure of Silicon is calculated using the empirical tight-binding method implemented in the Python programming language. Only interactions between first nearest neighbors are taken into account. The energy splittings for Silicon at symmetry points appear to be somewhat accurate to accepted values, although second neighbors will have …
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Does anyone have a reliable parameter set for a more robust model?
With a larger basis and not just the sp3? or maybe a Second-nearest neighbor (NNN) interactions?