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Investigations of the EPR Zero‐Field Splitting and Local Geometry for Mn 2+ Ion in LiTaO 3 Crystal
Author(s) -
Zheng WenChen
Publication year - 1998
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/(sici)1521-3951(199802)205:2<627::aid-pssb627>3.0.co;2-i
Subject(s) - zero field splitting , electron paramagnetic resonance , ion , superposition principle , crystal (programming language) , zero (linguistics) , field (mathematics) , crystal field theory , displacement (psychology) , coupling (piping) , geometry , atomic physics , physics , chemistry , molecular physics , condensed matter physics , materials science , nuclear magnetic resonance , quantum mechanics , electron , mathematics , spin polarization , psychology , linguistics , philosophy , computer science , pure mathematics , metallurgy , psychotherapist , programming language
The EPR zero‐field splitting D for the Mn 2+ ion in LiTaO 3 crystal has been studied from the microscopic spin–orbit coupling mechanism and the empirical superposition model. From the studies, one can find that to reach a good fit between theory and experiment, the Mn 2+ ion does not occupy the exact site of the replaced Li + ion, but is required to move about 0.022(1) nm in the direction of the c ‐axis in the LiTaO 3 crystal. The result and the reasonableness of the displacement direction are discussed. It appears that both theoretical methods can be used to explain the zero‐field splitting of 3d 5 ions in crystals, or, in reverse, to study the local geometry of these ions in crystals from the EPR data.