Ab initio derivation of electronic low-energy models for C 60 and aromatic compounds

Yusuke Nomura, Kazuma Nakamura, Ryotaro Arita

研究成果: Article査読

67 被引用数 (Scopus)

抄録

We present a systematic study for understanding the relation between electronic correlation and superconductivity in C 60 and aromatic compounds. We derived, from first principles, extended Hubbard models for twelve compounds: fcc K 3C 60, Rb 3C 60, Cs 3C 60 (with three different lattice constants), A15 Cs 3C 60 (with four different lattice constants), doped solid picene, coronene, and phenanthrene. We show that these compounds are strongly correlated and have similar energy scales of their bandwidths and interaction parameters. However, they have a different trend in the relation between the strength of the electronic correlation and superconducting- transition temperature. While the C 60 compounds have a positive correlation, the aromatic compounds exhibit a negative correlation.

本文言語English
論文番号155452
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
85
15
DOI
出版ステータスPublished - 2012 4月 25
外部発表はい

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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