Substrate-induced structural deformations of fullerene-shuttle memory device

Abstract

The structural deformations of the fullerene-shuttle memory device induced by the substrates were investigated by using atomistic simulations. The van der Waals interactions between the carbon atoms and the substrate caused compressive deformations of the capsule and affected the energetics and operations of the fullerene-shuttle memory. Because of the van der Waals interactions between C-60 and outer C-640 the compressions of the C-60@C-640 were smaller than those of the C-640. The binding energies of the C60 at the cap of the C-640 were almost constant regardless of the van der Waals parameter between carbon atoms and substrate. Therefore, the non-volatility of the fullerene-shuttle memory device was almost independent of the substrate supporting. it. As the van der Waals interactions between carbon atoms and substrate increased, the C-60 was slowly accelerated by the externally applied force.