Boron nitride nanosystems of regular geometry

Abstract

The explicit expressions in term of B-N bond length are obtained for atomic site coordinates and intersite distances in regular boron nitride nanotubes and fullerenes. The radii of single-walled BN nanotubes and single-shelled BN fullerenes are estimated, and their most stable associations in form of double-walled nanotubes and double-shelled fullerenes are predicted. The differences between radii of regular boron nitride fullerenes with indexes of (n + 3) and (n) are almost equal to the interlayer distance in layered boron nitride structures. Description made for the boron nitride nanosystems of regular geometries may serve as basis for further ground state and electron structure calculations.