Dynamic Jahn-Teller effect in fullerene C{sub 60}
- Los Alamos National Lab., NM (United States)
- China Centre of Advanced Science and Technology, Beijing, BJ (China)
- International Centre for Theoretical Physics, Trieste (Italy)
- Inst. of Theoretical Physics, Beijing, (China)
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.
- Research Organization:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 101344
- Report Number(s):
- LA-UR-95-1357; CONF-950294-1; ON: DE95012061
- Resource Relation:
- Conference: 2. winterschool on novel materials, Kirchberg in Tirol (Austria), Feb 1995; Other Information: PBD: [1995]
- Country of Publication:
- United States
- Language:
- English
Similar Records
Electronic structure of the F center in the alkaline earth oxides
Symmetry-adapted excited states for the T{sub 1u}(direct-product)h{sub g} Jahn-Teller system