Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations
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...
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| Format: | Article |
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Americal Physical Society
2013
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| Online Access: | https://eprints.nottingham.ac.uk/2213/ |
| _version_ | 1848790732302712832 |
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| author | Alqannas, Haifa S. Lakin, Andrew J. Farrow, Joseph A. Dunn, Janette L. |
| author_facet | Alqannas, Haifa S. Lakin, Andrew J. Farrow, Joseph A. Dunn, Janette L. |
| author_sort | Alqannas, Haifa S. |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T18:17:17Z |
| format | Article |
| id | nottingham-2213 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T18:17:17Z |
| publishDate | 2013 |
| publisher | Americal Physical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-22132020-05-04T16:39:06Z https://eprints.nottingham.ac.uk/2213/ 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. 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. Americal Physical Society 2013-10-31 Article PeerReviewed Alqannas, Haifa S., Lakin, Andrew J., 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 http://prb.aps.org/abstract/PRB/v88/i16/e165430 doi:10.1103/PhysRevB.88.165430 doi:10.1103/PhysRevB.88.165430 |
| spellingShingle | Alqannas, Haifa S. Lakin, Andrew J. Farrow, Joseph A. Dunn, Janette L. Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations |
| title | Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations |
| title_full | Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations |
| title_fullStr | Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations |
| title_full_unstemmed | Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations |
| title_short | Interplay between Coulomb and Jahn-Teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations |
| title_sort | interplay between coulomb and jahn-teller effects in icosahedral systems with triplet electronic states coupled to h-type vibrations |
| url | https://eprints.nottingham.ac.uk/2213/ https://eprints.nottingham.ac.uk/2213/ https://eprints.nottingham.ac.uk/2213/ |