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- W2011452015 abstract "The electronic structures of ${mathrm{NiSi}}_{2}$/Si(111) A- and B-type interfaces are calculated within the local density approximation (LDA) using large supercells and the LMTO full-potential and ASA methods. The Schottky-barrier heights for the two interfaces differ by 0.14 eV, in agreement with experiment. The difference is caused by a partly filled interface band present in both structures. The LDA barrier heights ${E}_{F}$-${E}_{v}$ are both 0.4 eV too low, and insensitive to interface relaxations and to external potentials. The correct density-functional expression for the barrier height is ${E}_{F}$-${E}_{v}$+ensuremath{Delta}${v}_{mathrm{xc}}$, where ensuremath{Delta}${v}_{mathrm{xc}}$ is a nonlocal correction." @default.
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- W2011452015 date "1989-09-11" @default.
- W2011452015 modified "2023-10-18" @default.
- W2011452015 title "Electronic structure and Schottky-barrier heights of (111)<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>NiSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>/Si A- and B-type interfaces" @default.
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- W2011452015 doi "https://doi.org/10.1103/physrevlett.63.1168" @default.
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