Effects of electronic excitations on potential energy surfaces: Simple model calculations

Hiroki Tsuchiura, Hideaki Kasai, Ayao Okiji

研究成果: Article査読

2 被引用数 (Scopus)

抄録

The potential energy surfaces (PES) for excited states as well as for the ground state are calculated using a model consisting of an adatom and an (N - 1) atom chain. Two kinds of single-electron excitations are described on the basis of this model: an excitation from a state which is localized near the surface to another localized state and one from a non-localized state to another non-localized state. The effects of these excitations on the shapes of PES for the excited states are discussed. It is shown that the shapes of PES for the excited states are affected by the excitations from localized to localized, whereas little effect comes from the excitations from non-localized to non-localized.

本文言語English
ページ(範囲)274-280
ページ数7
ジャーナルSurface Science
363
1-3
DOI
出版ステータスPublished - 1996 8 1
外部発表はい

ASJC Scopus subject areas

  • 凝縮系物理学
  • 表面および界面
  • 表面、皮膜および薄膜
  • 材料化学

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