On quasi-classical estimations of boron nanotubes ground-state parameters

Abstract

The explicit expressions in term of B-B bond length are obtained for atomic sites coordinates and intersite distances in boron nanotubes of regular geometry. Using the charge and potential distributions in boron atom parameterized within initial quasi-classical approximation, the boron-boron pair potential curve is constructed. It leads to the boron-boron interatomic distance, binding energy, and relative vibration frequency equilibrium values which only slightly are deviated from averaged bond length in structural units of boron and boron-rich solids, dissociation energy, and oscillatory quantum of the diboron molecule, respectively. This curve together with obtained formulas should be useful for calculating of boron nanotubes geometrical and other ground-state parameters.