Open AccessSpectral hyper-fine structure and zero-field splitting parameters with Jahn-Teller effect of CsNiCl3 crystal
Author(s) -
Chang Yin,
Jing Yang,
Lei Zhang,
Ning Song,
Ru Rui-Peng,
Yang Liu
Publication year - 2006
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.55.6047
Subject(s) - zero field splitting , coupling (piping) , spin–orbit interaction , spin (aerodynamics) , physics , jahn–teller effect , singlet state , condensed matter physics , field (mathematics) , ion , crystal (programming language) , spin structure , coupling constant , atomic physics , molecular physics , quantum mechanics , materials science , spin polarization , electron , excited state , mathematics , computer science , pure mathematics , programming language , antiferromagnetism , metallurgy , thermodynamics
The complete diagonalized Hamiitonian matrixes of 3d2/3d8 ion configuration with trigonal symmetry have been established by irreducible representation method. The spectral hyper-fine structure and the constants of crystal structure and zero-field splitting parameters of CsNiCl3 crystal, as well as the Jahn-Teller effect and the influence of the spin singlet on the ground levels of Ni2+ ion have been studied. The results agree with the experimental facts. Besides, taking into account the influence of the spin-spin (SS) coupling interactions and the Trees correction which were neglected in previous publications, we find that the zero-field splitting parameters arise from four mechanisms, namely: (1) Spin-orbit coupling mechanism; (2) Spin-spin coupling mechanism; (3) Spin-orbit and spin-spin combined coupling mechanism; (4) Spin-orbit and Trees correction combined coupling mechanism. The spin-orbit coupling mechanism is the most important one and the other three mechanisms can not be neglected.