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Pressure Dependence of the EPR Parameters of Cs 3 CoCl 5 Crystal
Author(s) -
Yu WanLun,
Rao J. L.
Publication year - 1988
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.2221450124
Subject(s) - electron paramagnetic resonance , superposition principle , ion , crystal (programming language) , field (mathematics) , chemistry , crystal field theory , type (biology) , condensed matter physics , crystal structure , physics , crystallography , nuclear magnetic resonance , mathematics , quantum mechanics , pure mathematics , ecology , organic chemistry , computer science , biology , programming language
Using the superposition model of a crystal field, a relationship is established between the crystal structure and the EPR parameters of d 7 ‐ions in weak D 2d fields. The analysis shows that the zerofield splitting parameter D is positive for a compressed structure and negative for elongated‐type crystals. With the help of Zhao and Zhang's approximate SCF d‐orbital of the Co 2+ ion, the relationship is used to investigate the pressure dependence of D of Cs 3 CoCl 5 crystal and the theoretical values are reasonable. The origin of the pressure variation of D is explained and the pressure dependence of the g ‐factor is predicted theoretically.