INVESTIGATION OF THE POLARIZABILITY AND OF THE LOCAL ELECTRIC FIELD OF FULLERENES WITH VARIOUS SHAPES AND DEFECTS USING A MONOPOLE-DIPOLE INTERACTION MODEL

摘要

Static dielectric properties of icosahedral and Stone-Wales rounded fullerenes, optimizedwith the REBO2 potential [D.W. Brenner, J. Phys. Cons. Matter 14, 783 (2002)], are studied using a Gaussian renormalized monopole-dipole interaction model. The molecular polarizability of icosahedral and spherical (with defects) fullerenes is found to vary linearly with the cube of the mean radius of the molecules. The local electric field of spherical fullerenes varies on average with the same law as that obtained with a continuous metallic sphere submitted to an external static uniform electric field.