[1]刘旭东,陈太红,曾体贤,等.LiCl:Cu2+晶体的局域结构、吸收光谱、顺磁g因子和超精细结构常数的研究[J].西华师范大学学报(自然科学版),2015,36(01):59-63.
 LIU Xu dong,CHEN Tai hong,ZENG Ti xian,et al.On the Local Structure, Optical Spectra,g Factors and Hyperfine Structure Constants of LiCl:Cu2+ Crystal[J].Journal of China West Normal University(Natural Sciences),2015,36(01):59-63.
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LiCl:Cu2+晶体的局域结构、吸收光谱、顺磁g因子和超精细结构常数的研究
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《西华师范大学学报(自然科学版)》[ISSN:1673-5072/CN:51-1699/N]

卷:
36
期数:
2015年01期
页码:
59-63
栏目:
OA栏目
出版日期:
2015-03-20

文章信息/Info

Title:
On the Local Structure, Optical Spectra,g Factors and Hyperfine Structure Constants of LiCl:Cu2+ Crystal
作者:
刘旭东陈太红曾体贤邹文辉宋婷婷
西华师范大学物理与电子信息学院,四川 南充637009
Author(s):
LIU XudongCHEN Taihong ZENG TixianZOU WenhuiSONG Tingting
Department of Physics and Information, China West Normal University Nanchong 637002
关键词:
晶体场局域结构吸收光谱顺磁g因子超精细结构常数
Keywords:
crystal fieldlocal structureoptical spectra g factorshyperfine structure constants
分类号:
O737
文献标志码:
A
摘要:
在赵等提出的半自洽场自由Cu2+的3d轨道模型的基础上,利用点电荷模型,通过微扰理论方法,建立了LiCl:Cu2+的局域结构与吸收光谱、顺磁g因子、超精细结构常数之间的定量关系. 计算结果表明:LiCl:Cu2+局域结构为拉伸的D4h对称八面体结构,键长R⊥=0.2196nm,R∥=0.2544nm,键长畸变△R⊥=-00369nm,△R∥=-00021nm,E1(2B1g→2B2g):10970 cm-1,E2(2B1g→2Eg):12563 cm-1,E3(2B1g→2A1g):4027 cm-1,g∥=2447,g⊥=2087,A∥ =-00090 cm-1,A⊥=00030 cm-1,与实验观测值符合很好,这为进一步研究掺杂顺磁离子晶体的结构、电磁等性质提供了一种可行的理论方法.
Abstract:
On the base of the Semi-SCF d-orbit model about free Cu2+ ions proposed by Zhao,the point charge model and the perturbation method,the relationship between the local structure, optical spectra ,g factors and hyperfine structure constants about LiCl:Cu2+ is set up.The theoretical calculations show that the local structure of LiCl:Cu2+ is elongated D4h octahedron;bond length is R⊥=0.2196nm,R∥=0.2544nm;bond length distortion is △R⊥=-0.0369nm;△R∥=-0.0021nm. Three optical spectra are E1(2B1g→2B2g):10970 cm-1,E2(2B1g→2Eg):12563 cm-1,E3(2B1g→2A1g):4027 cm-1,g∥=2.447,g⊥=2.087, A∥=-0.0090 cm-1,A⊥=0.0030 cm-1.The theoretical calculations agree with the experiment findings well which provides a good method for the research of the properties about structure and electromagnetism of paramagnetism with impurity.

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备注/Memo

备注/Memo:
收稿日期:2014-11-12
基金项目:中国博士后科学基金(2013M542294),四川省科技厅应用基础项目(2014JY0133),西华师范大学基本科研项目(2013C008).
作者简介:刘旭东(1987-),男,四川遂宁人,西华师范大学物理与电子信息学院硕士研究生, 主要从事凝聚态物理方面的研究.
通讯作者:陈太红(1971-),男,四川蓬安人, 西华师范大学物理与电子信息学院教授,主要从事晶体材料结构与光磁性能研究.
更新日期/Last Update: 2015-03-20