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

Hiroki Tsuchiura, Hideaki Kasai, Ayao Okiji

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)274-280
Number of pages7
JournalSurface Science
Volume363
Issue number1-3
DOIs
Publication statusPublished - 1996 Aug 1
Externally publishedYes

Keywords

  • Chemisorption
  • Electron density
  • Electron stimulated desorption
  • Excitation spectra calculations
  • Photon stimulated desorption
  • Potential energy surfaces
  • Tight-binding model

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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