Strongly coupled orbital triplet Jahn-Teller systems
- 20 January 1988
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 21 (2) , 383-399
- https://doi.org/10.1088/0022-3719/21/2/021
Abstract
Further details of a new method for studying strongly coupled orbital triplet Jahn-Teller systems (JT) are presented. The procedure, which involves unitary transformation and energy minimisation, allows coupling to both e- and t2-type cluster vibrations. Detailed results are presented for systems in which trigonal wells in the potential energy surface are energy minima. An estimate is made of the range of e- and t2-type couplings for which the method is valid. Results are also presented for systems with tetragonal energy minima. These are compared with well known results of T(X) e JT problem for the case when the t2-type coupling can be neglected.Keywords
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