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Jahn‐Teller Effect on Excited Orbital Triplet States of 3d n Ions in Eightfold Cubic Coordination. Co 2+ and Fe 2+ in CdF 2
Author(s) -
Ulrici W.
Publication year - 1974
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220620212
Subject(s) - excited state , ion , atomic physics , jahn–teller effect , physics , coupling (piping) , order (exchange) , absorption (acoustics) , crystallography , absorption spectroscopy , chemistry , materials science , quantum mechanics , finance , economics , acoustics , metallurgy
The ions Co 2+ and Fe 2+ can be substitutionally incorporated on Cd 2+ sites in CdF 2 . The optical absorption bands of the transitions 4 A 2g → 4 T 1g (F), → 4 T 1g (P) and 5 E g → 5 T 2g are no single bands but exhibit a pronounced triplet structure measured up to 500 K. The splittings increase linearly with \documentclass{article}\pagestyle{empty}\begin{document}$ \sqrt T $\end{document} at high temperatures. These results are explained as due to a strong dynamical Jahn‐Teller effect (interaction with τ 2g modes) on the excited orbital triplet states based on the theory by Toyozawa and Inone [3]. The frequencies of the τ 2g modes and the coupling constants (Jahn‐Teller energies) are determined. The doublet structure of the 4 A 2g → 4 T 2g absorption band and additional fine structures of the → 4 T 1g (F) band at low temperatures are discussed as probably being caused by the simultaneous action of first order spin‐orbit coupling and strong T ⊗ τ 2g coupling.