Investigations of the optical band positions, EPR parameters and defect structure for the trigonal Cr3+ - Li+ centre in CsMgCl3 crystal

被引：4
|
作者：
Xiao-Wu, Li [1 ]
Yang, Mei [1 ,3 ]
Wen-Chen, Zheng [2 ]
Chen-Fu, Wei [1 ]
机构：
[1] Mianyang Normal Univ, Sch Phys & Elect Engn, Mianyang, Peoples R China
[2] Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China
[3] Mianyang Normal Univ, Res Ctr Computat Phys, Mianyang, Peoples R China
来源：
MOLECULAR PHYSICS | 2015年 / 113卷 / 23期
关键词：
optical spectrum; electron paramagnetic resonance; crystal- and ligand-field theory; defect structure; CsMgCl3: Cr3+; UP-CONVERSION LUMINESCENCE; ATOMIC SCREENING CONSTANTS; ELECTRON-SPIN RESONANCE; LINEAR-CHAIN LATTICES; TEMPERATURE-DEPENDENCE; UNIFIED CALCULATIONS; CROSS-RELAXATION; SINGLE-CRYSTAL; SCF FUNCTIONS; METAL-IONS;
D O I：
10.1080/00268976.2015.1062929
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A unified calculation of optical band positions and electron paramagnetic resonance (EPR) (or spin-Hamiltonian) parameters for the trigonal Cr3+-Li+ centre in CsMgCl3 crystal is made by using the complete diagonalisation (of energy matrix) method based on the two-spin-orbit-parameter model. In this model, the contributions from the spin-orbit parameter of central d(n) ion and that of ligand ion are included. From the calculation, the 11 observed optical and EPR data (eight optical band positions and three EPR parameters g(//), g(perpendicular to), D) are reasonably explained with five adjustable parameters and the defect structure of the Cr3+-Li+ centre (which is consistent with the expectation based on the electrostatic interaction) in CsMgCl3 is acquired. The results are discussed.
引用
收藏
页码：3796 / 3800
页数：5
相关论文
共 50 条
  • [21] Investigations of the Optical and EPR Spectra for Cr3+ Ions in Diammonium Hexaaqua Magnesium Sulphate Single Crystal
    Wei, Q.
    ACTA PHYSICA POLONICA A, 2010, 118 (04) : 670 - 672
  • [22] Theoretical investigations of the spin Hamiltonian parameters for the two trigonal Cr3+ centers in GASH
    Wu, SY
    Dong, HN
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2005, 285 (1-2) : 169 - 176
  • [23] Investigation of local lattice structure around Cr3+ ions at the trigonal and tetragonal sites in RbCdF3:Cr3+ crystal
    Mao, Ai-Jie
    Kuang, Xiao-Yu
    MOLECULAR PHYSICS, 2008, 106 (08) : 1033 - 1038
  • [24] Unified research of the optical and EPR spectral data for the trigonal Cr3+ centers in emerald crystals
    Mei, Yang
    Peng, Ren-Ming
    Zheng, Wen-Chen
    OPTIK, 2016, 127 (08): : 4131 - 4133
  • [25] The effect of disorder in the local lattice distortions on the EPR and optical spectroscopy parameters for a new Cr3+ defect center in Cr3+ :Mg2+ :LiNbO3
    Yang, ZY
    Rudowicz, C
    Qin, J
    PHYSICA B-CONDENSED MATTER, 2002, 318 (2-3) : 188 - 197
  • [26] Investigations of EPR Parameters of MgTiO3:Cr3+, SrTiO3:Cr3+, and SrTiO3:Mn4+ Crystals
    Lianxuan Zhu
    Minjie Wang
    Jianliang Dang
    Applied Magnetic Resonance, 2011, 41 : 45 - 50
  • [27] Investigations of EPR Parameters of MgTiO3:Cr3+, SrTiO3:Cr3+, and SrTiO3:Mn4+ Crystals
    Zhu, Lianxuan
    Wang, Minjie
    Dang, Jianliang
    APPLIED MAGNETIC RESONANCE, 2011, 41 (01) : 45 - 50
  • [28] Unified research on the optical and EPR spectral data for the Cr3+ ion in the low-temperature trigonal phase of a LaAlO3 crystal
    Liu, Gang
    Zhang, Xin-Xin
    Mei, Yang
    Zheng, Wen-Chen
    EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS, 2015, 71 (03):
  • [29] Studies of the EPR parameters for two tetragonal Cr3+ centers in Cs2CdCl4:Cr3+ crystal
    Zheng, WC
    Wu, SY
    RADIATION EFFECTS AND DEFECTS IN SOLIDS, 1998, 145 (03): : 225 - 231
  • [30] EPR parameters and local lattice structure study of V2+ ions in CdCl2 and CsMgCl3 crystals
    Li, Cheng-Gang
    Kuang, Xiao-Yu
    Duan, Mei-Ling
    Chai, Rui-Peng
    Zhao, Ya-Ru
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2010, 71 (11) : 1599 - 1602
12345