Spectral hyper-fine structure and zero-field splitting parameters with Jahn-Teller effect of CsNiCl3 crystal | Zendy

Yin Chun-Hao | Zendy; Jiao Yang | Zendy; Lei Zhang | Zendy; Ning Song | Zendy; Ru Rui-Peng | Zendy; Yang Liu | Zendy

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Spectral hyper-fine structure and zero-field splitting parameters with Jahn-Teller effect of CsNiCl3 crystal

Author(s) -

Yin Chun-Hao,

Jiao Yang,

Lei Zhang,

Ning Song,

Ru Rui-Peng,

Yang Liu

Publication year - 2006

Publication title -

acta physica sinica

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.

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