Abstract
AbstractWe attempted to investigate the doping effect on the nonlinear optical properties of heavier substituted fullerenes by using the extended Su–Schrieffer–Heeger (SSH) model. It is found that heavier substituted doping of C60 does not necessarily lead to a higher nonlinear optical polarizability value, because the delocalized character of π electrons in this system disappears with heavier substituting.
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