Polaron excitations in doped C60: Effects of disorders

TL;DR

This paper investigates how various types of disorder, such as thermal phonon fluctuations and impurities, affect polaron excitations in doped C60 molecules, revealing their relative stability under such conditions.

Contribution

It introduces a simulation of disorder effects on polaron excitations in doped C60 using the SSH model with Gaussian disorder potentials.

Findings

Polarons in lightly doped C60 are relatively stable against disorders.

Peak structures in bond length and charge density distributions indicate polaron stability.

Disorder impacts are modeled through Gaussian bond and site disorder potentials.

Abstract

Effects on C60 by thermal fluctuations of phonons, misalignment of molecules in a crystal, and other intercalated impurities are simulated by disorder potentials. The SSH model for doped C60 is solved with gaussian bond and site disorders. Polarons and dimerizations in lightly doped cases (C60^{-1,-2}) are relatively stable against disorders, indicated by peak structures in distribution functions of bond length and charge density.