Dynamic Jahn-Teller effect in fullerene C{sub 60}

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Based on the Bogoliubov-de Gennes formalism, the linear multi-mode T{sub 1u} {circle_times} 8h{sub g} static Jahn-Teller problem is analyzed for the charged C{sub 60}{sup {minus}}, C{sub 60}{sup 2{minus}}, the lowest triplet and singlet self-trapped exciton (STE) of C{sub 60}. The dynamic Jahn-Teller effect due to quantum tunneling between the six degenerate D{sub 5d} configurations is studied within a perturbation approach. The tunneling induced level splittings are determined to be {sup 2}T{sub 1u} {circle_plus} {sup 2}T{sub 3u}, {sup 1}A{sub g} {circle_plus} {sup 1}H{sub g}, {sup 3}T{sub 3g} {circle_plus} {sup 3}T{sub 1g} and {sup 1}T{sub 3g} {circle_plus} {sup 1}T{sub 1g} for C{sub ... continued below

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4 p.

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Wang, W.Z.; Bishop, A.R.; Wang, C.L.; Yu, L. & Su, Z.B. May 1, 1995.

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  • Wang, W.Z.
  • Bishop, A.R. Los Alamos National Lab., NM (United States)
  • Wang, C.L. China Centre of Advanced Science and Technology, Beijing, BJ (China)
  • Yu, L. International Centre for Theoretical Physics, Trieste (Italy)
  • Su, Z.B. Inst. of Theoretical Physics, Beijing, (China)

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Description

Based on the Bogoliubov-de Gennes formalism, the linear multi-mode T{sub 1u} {circle_times} 8h{sub g} static Jahn-Teller problem is analyzed for the charged C{sub 60}{sup {minus}}, C{sub 60}{sup 2{minus}}, the lowest triplet and singlet self-trapped exciton (STE) of C{sub 60}. The dynamic Jahn-Teller effect due to quantum tunneling between the six degenerate D{sub 5d} configurations is studied within a perturbation approach. The tunneling induced level splittings are determined to be {sup 2}T{sub 1u} {circle_plus} {sup 2}T{sub 3u}, {sup 1}A{sub g} {circle_plus} {sup 1}H{sub g}, {sup 3}T{sub 3g} {circle_plus} {sup 3}T{sub 1g} and {sup 1}T{sub 3g} {circle_plus} {sup 1}T{sub 1g} for C{sub 60}{sup 1{minus}}, C{sub 60}{sup 2{minus}}, triplet and singlet STE`s of neutral C{sub 60}, respectively. The observable consequences of the dynamic Jahn-Teller effect are considered. Some of the Jahn-Teller active (as well as Raman-active) modes are predicted to be observable as multi-phonon overtones in the infrared absorption. In the photo-induced multi-phonon resonant Raman scattering the tunnel splitting itself should show up in the Raman spectrum, and the depolarization ratio is sensitive to the exciting frequency.

Physical Description

4 p.

Notes

OSTI as DE95012061

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  • 2. winterschool on novel materials, Kirchberg in Tirol (Austria), Feb 1995

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  • Other: DE95012061
  • Report No.: LA-UR--95-1357
  • Report No.: CONF-950294--1
  • Grant Number: W-7405-ENG-36
  • Office of Scientific & Technical Information Report Number: 101344
  • Archival Resource Key: ark:/67531/metadc619051

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Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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Creation Date

  • May 1, 1995

Added to The UNT Digital Library

  • June 16, 2015, 7:43 a.m.

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  • Feb. 29, 2016, 2:10 p.m.

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Wang, W.Z.; Bishop, A.R.; Wang, C.L.; Yu, L. & Su, Z.B. Dynamic Jahn-Teller effect in fullerene C{sub 60}, article, May 1, 1995; New Mexico. (digital.library.unt.edu/ark:/67531/metadc619051/: accessed December 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.