Abstract
The stability of a C20@C80 nanoparticle and the rotation of its inner shell are studied theoretically within the tight-binding approximation. It is found that the C20 skeleton in the free state is described by space group D 3d ; in the case where C20 is placed into the C80(I h ) fullerene field, the space group of C20 is raised to I h due to isomerization. The total energy surface of the C20@C80 compound is scanned over two rotation angles. Based on an analysis of the surface relief and energy isoline map, orientational melting of the nanoparticle is predicted. A nanoparticle gyroscope—C20 rotating in the field of C80 at a certain relative orientation and energy supply—is also predicted to exist.
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