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- W2069375062 endingPage "1320" @default.
- W2069375062 startingPage "1316" @default.
- W2069375062 abstract "Using an expansion of ensuremath{sim}2870 plane waves, we have performed ab initio calculations of the energy bands, equilibrium lattice constants and atomic positions, and cohesive energy of ${mathrm{B}}_{12}$. We find an indirect gap of 1.427 eV and a direct gap of 1.780 eV. The lattice constants and atomic positions are in good agreement with x-ray data, and charge-density contour plots reveal strong intraicosahedral and interplanar intericosahedral bonding but weak intraplanar intericosahedral bonding." @default.
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- W2069375062 date "1990-07-15" @default.
- W2069375062 modified "2023-10-13" @default.
- W2069375062 title "Bands and bonds of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>B</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W2069375062 doi "https://doi.org/10.1103/physrevb.42.1316" @default.
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