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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
  • ISSN号：1674-1056
  • 期刊名称：《中国物理B：英文版》
  • 时间：0
  • 分类：O737[理学—晶体学] N94[自然科学总论—系统科学]
  • 作者机构：[1]Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China, [2]International Centre for Materials Physics, Academia Sinica, Shenyang 110016, China
  • 相关基金：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）.
作者： 祁林[1], 邝小渝[1,2], 柴瑞鹏[1], 段美玲[1], 张彩霞[1]
关键词： 电子顺磁共振, 系统, 局部结构, 共振参数, 韧带, 钠, 钾, 铷, complete energy matrix, EPR parameters, （VCl6）4- coordination complex, local structure
中文摘要：

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.

英文摘要：

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 77K, 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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期刊信息
  • 《中国物理B：英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国物理学会和中国科学院物理研究所
  • 主编：欧阳钟灿
  • 地址：北京 中关村 中国科学院物理研究所内
  • 邮编：100080
  • 邮箱：
  • 电话：010-82649026 82649519
  • 国际标准刊号：ISSN：1674-1056
  • 国内统一刊号：ISSN：11-5639/O4
  • 邮发代号:
  • 获奖情况:
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  • 被引量:406