Using an expansion of -2870 plane waves, we have performed ab initio calculations of the energy bands, equilibrium lattice constants and atomic positions, and cohesive energy of B». 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.
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