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- W2016586544 abstract "We present a careful recasting of first-principles band structure calculations for MgB2 in a non-orthogonal sp-tight-binding (TB) basis. Our TB results almost exactly reproduce our full potential linearized augmented plane wave results for the energy bands, the densities of states and the total energies. Our procedure generates transferable Slater-Koster parameters which should be useful for other studies of this important material." @default.
- W2016586544 created "2016-06-24" @default.
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- W2016586544 date "2001-10-11" @default.
- W2016586544 modified "2023-09-26" @default.
- W2016586544 title "Precise tight-binding description of the band structure of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>MgB</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W2016586544 doi "https://doi.org/10.1103/physrevb.64.172510" @default.
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