A new approach to analyse H⊗(2h⊕g) Jahn-Teller system for C60

R. Koç, H. Tütüncüler, M. Koca

Research output: Contribution to journalArticle

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Abstract

It is now well-known that electron (hole)-vibron coupling and hence Jahn-Teller (JT) effect is important understanding the properties of C60 and related molecules. In this paper, we study H⊗(2h⊕g) coupling case to find the potential energy surfaces for the positively charged C60 molecule due to distortion. The H⊗(2h⊕g) Jahn-Teller system is of particular importance as this will be the JT effect displayed by C60 molecules removed with an electron. C+ 60 is obtained by removing one electron from fivefold degenerate Hu highest occupied molecular orbital (HOMO) and a hole in HOMO interacts with the vibrational modes of C60 and symmetry is broken. We apply the method of symmetry breaking mechanism to obtain expressions for the potential energy surface.

Original languageEnglish
Pages (from-to)467-472
Number of pages6
JournalEuropean Physical Journal D
Volume8
Issue number1
Publication statusPublished - Dec 2000

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Jahn-Teller effect
broken symmetry
molecular orbitals
potential energy
molecules
vibration mode
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Cite this

Koç, R., Tütüncüler, H., & Koca, M. (2000). A new approach to analyse H⊗(2h⊕g) Jahn-Teller system for C60 . European Physical Journal D, 8(1), 467-472.

A new approach to analyse H⊗(2h⊕g) Jahn-Teller system for C60 . / Koç, R.; Tütüncüler, H.; Koca, M.

In: European Physical Journal D, Vol. 8, No. 1, 12.2000, p. 467-472.

Research output: Contribution to journalArticle

Koç, R, Tütüncüler, H & Koca, M 2000, 'A new approach to analyse H⊗(2h⊕g) Jahn-Teller system for C60 ', European Physical Journal D, vol. 8, no. 1, pp. 467-472.
Koç, R. ; Tütüncüler, H. ; Koca, M. / A new approach to analyse H⊗(2h⊕g) Jahn-Teller system for C60 . In: European Physical Journal D. 2000 ; Vol. 8, No. 1. pp. 467-472.
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