Finite-conical-well model for vertically adsorbed diatomic molecules

Yu-Tai Shih, D. S. Chuu, W. N. Mei

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

We present studies of the rotational spectra of a diatomic molecule adsorbed vertically on a solid surface. The hindrance configuration was modeled as a rigid rotor whose spatial motion was confined by a finite conical well. The eigenfunctions can be expressed analytically in terms of the hypergeometric functions, and eigenvalues were solved numerically. We found that the rotational energy levels and the confinement probabilities exhibit oscillatory behaviors when plotted as functions of the hindrance angle. The solutions were used to calculate the rotational-state distribution of the suddenly unhindered rotors and general features which agree with the previous experimental findings were obtained.

Original languageEnglish
Pages (from-to)14626-14635
Number of pages10
JournalPhysical Review B
Volume51
Issue number20
DOIs
Publication statusPublished - 1995 Jan 1

Fingerprint

Rigid rotors
diatomic molecules
Eigenvalues and eigenfunctions
Electron energy levels
Rotors
rigid rotors
hypergeometric functions
Molecules
rotational spectra
rotational states
solid surfaces
rotors
eigenvectors
eigenvalues
energy levels
configurations

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

Cite this

Shih, Yu-Tai ; Chuu, D. S. ; Mei, W. N. / Finite-conical-well model for vertically adsorbed diatomic molecules. In: Physical Review B. 1995 ; Vol. 51, No. 20. pp. 14626-14635.
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Finite-conical-well model for vertically adsorbed diatomic molecules. / Shih, Yu-Tai; Chuu, D. S.; Mei, W. N.

In: Physical Review B, Vol. 51, No. 20, 01.01.1995, p. 14626-14635.

Research output: Contribution to journalArticle

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