The impurity ion off-center behavior induced by a localized vibronic Frenkel exciton in a soft-mode crystal

Autor: E. A. Ruzanova, V. S. Vikhnin
Rok vydání: 2009
Předmět:
Zdroj: Crystallography Reports. 54:504-508
ISSN: 1562-689X
1063-7745
DOI: 10.1134/s1063774509030213
Popis: The 3d-4p Frenkel exciton localized at a Mn4+ impurity ion in BaTiO3 is considered. The electron and hole of this exciton are correlated, degenerate, and involved in the pair Jahn-Teller effect. Such an exciton is characterized by the significant contribution of indirect electron-hole attraction through lattice (in particular, soft) vibrations to the coupling energy, which is comparable with the Coulomb attraction. Thus, the exciton under consideration is both Coulomb and vibronic excitation. The vibronic contribution increases when approaching the point of soft phonon condensation. It is shown that a vibronic Frenkel exciton allows the off-center behavior of an impurity ion, which is significantly enhanced when approaching the point of soft phonon condensation. As a result, the vibronic Frenkel exciton is a low-lying excitation.
Databáze: OpenAIRE