Charge-transfer mechanism for the (monolayer graphite) /Ni(111) system

Kazuo Yamamoto, Masato Fukushima, Toshiaki Osaka, Chuhei Oshima

研究成果: Article査読

45 被引用数 (Scopus)

抄録

The electronic states of a monolayer of graphite on a Ni(111) substrate are investigated with use of first-principles self-consistent calculations. A notable feature of this system is that a formerly empty * orbital of the graphite overlayer is now occupied because of its interaction with the occupied orbitals of the nickel substrate. Because there is a substantial spatial overlap between the wave functions of the substrate and overlayer orbitals, and because their energy difference is small, a charge transfer into the overlayer * orbital occurs.

本文言語English
ページ(範囲)11358-11361
ページ数4
ジャーナルPhysical Review B
45
19
DOI
出版ステータスPublished - 1992

ASJC Scopus subject areas

  • 凝縮系物理学

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