Questions tagged [tight-binding]

Questions related to the tight binding method in materials science.

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Calculating the Chern number on a 2D surface of a 3D insulator

I want to calculate the Chern number of a surface of 3D time reversal insulator. I know the 3D topological insulator is characterized by the Z2 index annd that the Chern number can be used to ...
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10 votes
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Is it possible to construct a tight binding matrix of high atomic layer thin film from the lower one?

Given a tight binding matrix of a thin film system with a few atomic layers, is it possible to construct a tight binding matrix of higher atomic layers thin film from the lower one? For example, I ...
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5 votes
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Cheap NMR shift calculations in periodic systems

I am looking for an electronic structure method code (e.g. tight binding DFTB) that supports cheap calculations of NMR shieldings and has support for periodical systems. I would be grateful for any ...
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boundary states of higher-order topological insulators

What are the standard computational methods used in obtaining the edge and corner states of higher-order topological insulators? From my understanding, the DFT code calculates the bulk properties of a ...
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