Tight binding parametrization of few-layer black phosphorus from first-principles calculations
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DOI: 10.1016/j.commatsci.2017.11.039
Abstract: Abstract We employ a tight-binding parametrization based on the Slater Koster model in order to fit the band structures of single-layer, bilayer and bulk black phosphorus obtained from first-principles calculations. We find that our model,… read more here.
Keywords: tight binding; binding parametrization; black phosphorus; principles calculations ... See more keywords