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2009 Volume 18 Issue 4
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Qi Lin, Kuang Xiao-Yu, Chai Rui-Peng, Duan Mei-Ling, Zhang Cai-Xia. 2009: Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for(VCl6)4-coordination complex in MCI:V2+(M=Na,K,Rb)systems, Chinese Physics B, 18(4): 1586-1593.
Citation: Qi Lin, Kuang Xiao-Yu, Chai Rui-Peng, Duan Mei-Ling, Zhang Cai-Xia. 2009: Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for(VCl6)4-coordination complex in MCI:V2+(M=Na,K,Rb)systems, Chinese Physics B, 18(4): 1586-1593.
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Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for(VCl6)4-coordination complex in MCI:V2+(M=Na,K,Rb)systems

  • Institute of Atomic and Molecular Physics,Sichuan University Chengdu 610065,China

  • Institute of Atomic and Molecular Physics,Sichuan University Chengdu 610065,China;International Centre for Materials Physics,Academia Sinica,Shenyang 110016,China

  • Available Online: 30/04/2009
  • Fund Project: the National Natural Science Foundation of China(Grant 10774103)%the Doctoral Education Fund of the Education Ministry of China(Grant 20050610011)
  • By simulating the electron paramagnetic resonance(EPR)and optical spectra on the basis of the 120×120 complete energy matrix,this paper determines the local lattice structure parameters R1 and R2 for MCl:V2+(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:V2+ systems.Meanwhile,it finds that the structure parameters R1,R2 and|△R|(=R1-R2)increase with the rising temperature.Subsequently,from the analysis it concludes that the relation of EPR parameter D vs.△R is approximately linear.Finally,the effects of orbital reduction factor k on the g factors for the three systems have been discussed.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for(VCl6)4-coordination complex in MCI:V2+(M=Na,K,Rb)systems

  • Available Online: 30/04/2009

Abstract: By simulating the electron paramagnetic resonance(EPR)and optical spectra on the basis of the 120×120 complete energy matrix,this paper determines the local lattice structure parameters R1 and R2 for MCl:V2+(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:V2+ systems.Meanwhile,it finds that the structure parameters R1,R2 and|△R|(=R1-R2)increase with the rising temperature.Subsequently,from the analysis it concludes that the relation of EPR parameter D vs.△R is approximately linear.Finally,the effects of orbital reduction factor k on the g factors for the three systems have been discussed.

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