The ability to realistically simulate the electronic structure of superconducting materials is important to understand and predict various properties emerging in both the superconducting topological and spintronics realms. We introduce a tight-binding implementation of the Bogoliubov-de Gennes method, parameterized from density functional theory, which we utilize to explore the bulk and thin films of Nb, known to host a significant superconducting gap. The latter is useful for various applications such as the exploration of trivial and topological in-gap states. Here, we focus on the simulation's aspects of superconductivity and study the impact of temperature, Cooper-pair coupling and dimensionality on the value of the superconducting pairing interactions and gaps.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10856455PMC
http://dx.doi.org/10.3390/nano14030254DOI Listing

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