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

Alqannas, Haifa S.; Lakin, Andrew J.; Farrow, Joseph A.; Dunn, Janette L.

Authors

Haifa S. Alqannas

Andrew J. Lakin

Joseph A. Farrow

Janette L. Dunn janette.dunn@nottingham.ac.uk

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.

Journal Article Type Article
Publication Date Oct 31, 2013
Journal Physical Review B
Print ISSN 2469-9950
Electronic ISSN 1098-0121
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 88
Issue 16
Institution Citation Alqannas, H. S., Lakin, A. J., Farrow, J. A., & Dunn, J. 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), doi:10.1103/PhysRevB.88.165430
DOI https://doi.org/10.1103/PhysRevB.88.165430
Publisher URL http://prb.aps.org/abstract/PRB/v88/i16/e165430
Copyright Statement Copyright information regarding this work can be found at the following address: http://eprints.nottingh.../end_user_agreement.pdf
Additional Information Copyright: American Physical Society

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Copyright Statement
Copyright information regarding this work can be found at the following address: http://eprints.nottingham.ac.uk/end_user_agreement.pdf




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