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Effects of vibrational intercentre interaction in a trigonal two-centre system with twofold electronic degeneracy at each centre
Authors:G.I. Bersuker  L.F. Chibotaru  V.Z. Polinger  A.O. Solonenko
Affiliation:Institute of Chemistry, Academy of Sciences of the Moldavian S.S.R. , 277028 , Kishinev , U.S.S.R.
Abstract:The effect of intercentre interaction (via vibrations and electron-electron coupling) on the magnetic and magnetic resonance characteristics of a pair of Jahn-Teller centres is investigated. In the limiting case of strong vibronic coupling when the splitting of degenerate electronic terms is sufficiently large the exchange Hamiltonian for the pair has the Heisenberg form. The energy spectrum of spin states of the pair system is obtained and the temperature dependence of the effective magnetic moment is investigated. It is shown that under some conditions this temperature dependence has an anomalous nonmonotonic character. The g factors of the two-centre Jahn-Teller system are obtained and the changes of the EPR spectrum with the exchange and vibrational coupling constants is analysed. With inclusion of only the exchange interaction, the pair spectrum possesses an additional isotropic resonance placed in the middle of the known broadened EPR spectrum of single centres with the Jahn-Teller effect for an orbital E term. The vibrational interaction between the centres results in a radical transformation of the spectrum, which in this case contains only an isotropic resonance line.
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