Polaron in a one-dimensional C60 crystal

V. R. Belosludov, T. M. Inerbaev, Rodion Vladimirovich Belosludov, Yoshiyuki Kawazoe

研究成果: Article査読

7 被引用数 (Scopus)

抄録

Polaron states in a linear chain of fullerenes have been investigated using the Su-Shriffer-Heeger model supplemented by the Hubbard on-site Coulomb energy. The model is solved numerically within the adiabatic approximation. In this study, the electron charge distribution over the molecular surface, Jahn-Teller distortions of bonds between carbon atoms, and the density of electron states have been calculated self-consistently for a linear chain of C60 molecules with one extra electron or hole. It is shown that the structure of an electron or hole polaron in the chain differs from the structure of the polaron in a single molecule. These distinctions are caused by both the conjugation of π electrons on the nearest-neighbor molecules and electron-electron correlation. Finally, the critical value of the intermolecular hopping integral for the existence of a self-trapped charge carrier due to the lattice distortion has been determined.

本文言語English
論文番号155410
ページ(範囲)1554101-1554108
ページ数8
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
67
15
出版ステータスPublished - 2003 4月 1

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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