Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations

Alqannas, Haifa S. and Lakin, Andrew J. and Farrow, Joseph A. and Dunn, Janette L. (2013) Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations. Physical Review B, 88 (16). p. 165430. ISSN 1098-0121

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Abstract

We will consider the role played by electron-vibration and electron-electron interactions, through Jahn-Teller (JT) and Coulomb interactions, respectively, in icosahedral systems in which triplet electronic states are coupled to hg-type vibrations. Starting from the electronic terms that arise from consideration of Coulomb interactions, we introduce JT couplings both within the terms and between nondegenerate terms. We show how the symmetry of the JT distortion can change when extra electrons are added, and give the conditions under which JT distortions can be suppressed entirely when the Coulomb interactions are sufficiently large. The relevance of our results to anions of the fullerene molecule C60 are briefly discussed, and existing experimental measurements are used to estimate values for the quadratic JT coupling constants for these anions.

Item Type: Article
Additional Information: Copyright: American Physical Society
Schools/Departments: University of Nottingham UK Campus > Faculty of Science > School of Physics and Astronomy
Identification Number: https://doi.org/10.1103/PhysRevB.88.165430
Depositing User: Dunn, Dr Janette L
Date Deposited: 06 Nov 2013 10:05
Last Modified: 09 Sep 2016 13:25
URI: http://eprints.nottingham.ac.uk/id/eprint/2213

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