Symmetry-adapted states for strongly coupled E (X) e Jahn-Teller systems

Abstract

Projection operator techniques are used to construct a complete set of symmetry-adapted excited states for the strongly coupled E (X) e Jahn-Teller (JT) system from the exact infinite coupling states in the presence of warping described by a quadratic coupling term. All possible phonon excitations are considered. The associated ion is assumed to occupy a site of tetrahedral Td symmetry such as that occurring at substitutional sites in III-V semiconductors. The purpose of the calculation is to obtain an appropriate set of basis states from which first- and, more particularly, second-order JT reduction factors can be calculated by analytical methods as described in the companion paper. The states are used in this paper to obtain the energy level diagram for the first few excited states for a chosen value of the warping parameter L.

Multimode Jahn-Teller Effects in Strongly-Coupled Vibronic Systems

“…T® (e+ t 2) [3], and EQe [4] JT systems have been investigate%l by using a transformation technique [?]. These calculations have been undertaken in order to obtain accurate basis states which can subsequently be used to determine values for the Ham reduction factors which appear in effective Hamiltonians for real systems.…”