The spectrum of a trimeric mired-valence cluster d1-d1-d2 is calculated in the Piepha-Krausz-Schatz vibronic model. Based on the vibronic spectra obtained magnetic properties of the d1-d1-d2 cluster are investigated It is shown that spin of the system's ground state may change not only as a result of double exchange reduction by vibronic coupling, but also due to a diflerence in the eneqy dependence of the lowest vibronic states on the vibronic coupling constant for diflerent total spin values. Unlike previous studies of vibronic interactions in the d1-d1-d2 cluster, in this study the diagonalizations of the vibronic-coupling and double-exchange matrices are fuljilled simultaneously, using Lanczos' method. Due to this, all types 4 vibronic state mixing by double exchange could be taken into account properly.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry