English

Polaron Excitations in Doped C60: Effects of Disorders

Condensed Matter 2007-05-23 v1

Abstract

Effects on C60_{60} by thermal fluctuations of phonons, misalignment of C60_{60} molecules in a crystal, and other intercalated impurities (remaining C70_{70}, oxygens, and so on) are simulated by disorder potentials. The Su-Schrieffer-Heeger--type electron-phonon model for doped C60_{60} is solved with gaussian bond disorders and also with site disorders. Sample average is performed over sufficient number of disorder configurations. The distributions of bond lengths and electron densities are shown as functions of the disorder strength and the additional electron number. Stability of polaron excitations as well as dimerization patterns is studied. Polarons and dimerizations in lightly doped cases (C601,2_{60}^{-1,-2}) are relatively stable against disorders, indicated by peak structures in distribution functions. In more heavily doped cases, the several peaks merge into a single peak, showing the breakdown of polaron structures as well as the decrease of the dimerization strength. Possibility of the observation of polaronic lattice distortions and electron structures in doped C60_{60} is discussed.

Keywords

Cite

@article{arxiv.cond-mat/9304042,
  title  = {Polaron Excitations in Doped C60: Effects of Disorders},
  author = {Kikuo Harigaya},
  journal= {arXiv preprint arXiv:cond-mat/9304042},
  year   = {2007}
}

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Note: This manusript was accepted for publication in Physical Review B. Figures will be sent to you via snail (conventional) mail