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On the microscopic mechanism of the ferroelectric phase transition of TSCC: Mn 2+
Author(s) -
Franck S.,
Kühnel A.,
Wendt S.
Publication year - 1978
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.2220850135
Subject(s) - electron paramagnetic resonance , ferroelectricity , ion , condensed matter physics , tensor (intrinsic definition) , phase transition , rotation (mathematics) , octahedron , manganese , superposition principle , chemistry , crystallography , physics , nuclear magnetic resonance , quantum mechanics , dielectric , geometry , mathematics , organic chemistry
In ferroelectric TSCC doped by Mn 2+ ions Windsch et al. observed a large rotation of some EPR lines, the limiting rotation angle being 30°. Using Newman's superposition model, the EPR fine structure tensor D ij is calculated via the field gradient tensor V ij in a point charge model. It turns out that rather small (some 10 −9 cm) shifts together with a small change in the effective charge of the oxygen ions at the sites of the distorted octahedron around the manganese ions are sufficient to explain the large rotation of the EPR lines in a good agreement with the experimental results.