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- W2021021330 abstract "We have investigated the cohesion and electronic structures of a metallic fullerene consisting of a single boron-substituted ${mathrm{C}}_{60}$ (${mathrm{BC}}_{59}$) molecule by performing a first-principles total-energy band-structure calculation. We have found that ${mathrm{BC}}_{59}$ fullerenes are condensed exothermically and that a boron-induced metallic band appears above the valence bands of pristine ${mathrm{C}}_{60}$. We have also found that the boron-induced state has the character of an acceptor state, indicating that substitutional ${mathrm{BC}}_{59}$ in solid ${mathrm{C}}_{60}$ may act as an ``acceptor fullerene.'' The dispersion and the width of the boron-induced band have been found to be sensitive to the rotation of the fullerene." @default.
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- W2021021330 date "1992-07-15" @default.
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- W2021021330 title "Electronic structures of solid<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>BC</mml:mi></mml:mrow><mml:mrow><mml:mn>59</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W2021021330 doi "https://doi.org/10.1103/physrevb.46.1749" @default.
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