Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)4- coordination complex in MCl:V2+ (M=Na, K, Rb) systems
a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; b International Centre for Materials Physics, Academia Sinica, Shenyang 110016, China
Abstract By simulating the electron paramagnetic resonance (EPR) and optical spectra on the basis of the 120$\times $120 complete energy matrix, this paper determines the local lattice structure parameters $R_1 $ and $R_2 $ for MCl:V$^{2 + }$ (M=Na, K, Rb) systems at 77 K, 195 K and RT (room temperature 295 K or 302 K), respectively. The theoretical results indicate that there exists a compressed distortion in MCl:V$^{2 + }$ systems. Meanwhile, it finds that the structure parameters $R_1 $, $R_2 $ and $\left| {\Delta R} \right|$ ($ = R_1 - R_2 )$ increase with the rising temperature. Subsequently, from the analysis it concludes that the relation of EPR parameter $D$ vs. $\Delta R$ is approximately linear. Finally, the effects of orbital reduction factor $k$ on the $g$ factors for the three systems have been discussed.
Received: 27 October 2008
Revised: 14 November 2008
Accepted manuscript online:
(Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect)
Fund: Project supported by the National
Natural Science Foundation of China (Grant No 10774103) and the
Doctoral Education Fund of the Education Ministry of China (Grant No
20050610011).
Cite this article:
Qi Lin(祁林), Kuang Xiao-Yu(邝小渝), Chai Rui-Peng(柴瑞鹏), Duan Mei-Ling(段美玲), and Zhang Cai-Xia(张彩霞) Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl6)4- coordination complex in MCl:V2+ (M=Na, K, Rb) systems 2009 Chin. Phys. B 18 1586
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