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

Hiroki Tsuchiura; Hideaki Kasai; Ayao Okiji

doi:10.1016/0039-6028(96)80100-2

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

Hiroki Tsuchiura, Hideaki Kasai, Ayao Okiji

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	274-280
Number of pages	7
Journal	Surface Science
Volume	363
Issue number	1-3
DOIs	https://doi.org/10.1016/0039-6028(96)80100-2
Publication status	Published - 1996 Aug 1
Externally published	Yes

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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10.1016/0039-6028(96)80100-2

Cite this

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title = "Effects of electronic excitations on potential energy surfaces: Simple model calculations",

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.",

keywords = "Chemisorption, Electron density, Electron stimulated desorption, Excitation spectra calculations, Photon stimulated desorption, Potential energy surfaces, Tight-binding model",

author = "Hiroki Tsuchiura and Hideaki Kasai and Ayao Okiji",

note = "Funding Information: This work is supportedp artlyby Grant-in-Aid for Scientific Research from the Ministry of EducationS, cienceS, portsa nd Culture,J apan.",

year = "1996",

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doi = "10.1016/0039-6028(96)80100-2",

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pages = "274--280",

journal = "Surface Science",

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number = "1-3",

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TY - JOUR

T1 - Effects of electronic excitations on potential energy surfaces

T2 - Simple model calculations

AU - Tsuchiura, Hiroki

AU - Kasai, Hideaki

AU - Okiji, Ayao

N1 - Funding Information: This work is supportedp artlyby Grant-in-Aid for Scientific Research from the Ministry of EducationS, cienceS, portsa nd Culture,J apan.

PY - 1996/8/1

Y1 - 1996/8/1

N2 - 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.

AB - 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.

KW - Chemisorption

KW - Electron density

KW - Electron stimulated desorption

KW - Excitation spectra calculations

KW - Photon stimulated desorption

KW - Potential energy surfaces

KW - Tight-binding model

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U2 - 10.1016/0039-6028(96)80100-2

DO - 10.1016/0039-6028(96)80100-2

M3 - Article

AN - SCOPUS:0030206707

VL - 363

SP - 274

EP - 280

JO - Surface Science

JF - Surface Science

SN - 0039-6028

IS - 1-3

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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