Arta Sadrzadeh

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The geometry, electronic, and structural properties of an unusually stable boron cage made of 80 boron atoms are studied, using ab initio calculations. The shape of this cluster is very similar to that of the well-known C60 fullerene, but in the B80 case, there is an additional atom in the center of each hexagon. The resulting cage preserves the Ih(More)
We investigate the properties of nanotubes obtained from recently described boron r-sheet, using density functional theory. Computations confirm their high stability and identify mechanical stiffness parameters. This allows one to further analyze the basic vibrations, including the radial breathing mode Raman frequency, f RBM) 210(nm/d) cm-1. Careful(More)
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