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

Kazuo Yamamoto, Masato Fukushima, Toshiaki Osaka, Chuhei Oshima

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Abstract

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.

Original languageEnglish
Pages (from-to)11358-11361
Number of pages4
JournalPhysical Review B
Volume45
Issue number19
DOIs
Publication statusPublished - 1992

ASJC Scopus subject areas

  • Condensed Matter Physics

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    Yamamoto, K., Fukushima, M., Osaka, T., & Oshima, C. (1992). Charge-transfer mechanism for the (monolayer graphite) /Ni(111) system. Physical Review B, 45(19), 11358-11361. https://doi.org/10.1103/PhysRevB.45.11358