Defect model and EPR parameters for the tetragonal Yb3+ center in KTaO3 crystal

被引：9
|
作者：
Feng, Wen-Lin [1 ,2 ]
Liu, Hong-Gang [1 ]
Zheng, Wen-Chen [1 ,3 ]
机构：
[1] Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China
[2] Chongqing Inst Technol, Dept Appl Phys, Chongqing 400050, Peoples R China
[3] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
来源：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2008年 / 71卷 / 02期
关键词：
Electron paramagnetic resonance (EPR); Defect model; Crystal-field theory; Yb3+; KTaO3;
D O I：
10.1016/j.saa.2007.12.038
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
The defect model of the tetragonal Yb3+ (at K+ site) center in KTaO3 crystal is suggested, i.e., Yb3+ ion does not occupy the ideal K+ site, but is displaced by an amount Delta Z along one of (100) axes because of the much smaller ionic radius of Yb3+ compared with that of the replaced K+. Based on the defect model, the EPR parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants (171)A(parallel to), (171)A(perpendicular to), (173)A(parallel to), (173)A(perpendicular to)) are calculated by diagonalizing the 14 x 14 complete energy matrix. The calculated values are in agreement with the observed values and the off-center displacement Delta Z (approximate to 0.2 angstrom) is estimated from the calculations. These results are discussed. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：559 / 561
页数：3
相关论文
共 50 条
  • [1] Theoretical studies of the EPR parameters and the local structure of the tetragonal Fe+ center in KTaO3
    Wu, SY
    Dong, HN
    Gao, XY
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2005, 60 (1-2): : 101 - 105
  • [2] Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal
    Gnutek, P.
    Yang, Z. Y.
    Rudowicz, C.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (45)
  • [3] Theoretical explanations of the optical and EPR spectra for tetragonal Yb3+ center in KMgF3 crystal
    Dong, HN
    Wu, SY
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2004, 59 (11): : 780 - 782
  • [4] EPR, ENDOR, and optical spectroscopy of the tetragonal Yb3+ center in KMgF3
    Falin, ML
    Latypov, VA
    Kazakov, BN
    Leushin, AM
    Bill, H
    Lovy, D
    PHYSICAL REVIEW B, 2000, 61 (14): : 9441 - 9448
  • [5] Investigations of zero-field splitting and defect structure for the tetragonal Fe3K+-OI center in KTaO3 crystal
    Zheng, Wen-Chen
    Lv, He
    Wu, Xiao-Xuan
    Liu, Hong-Gang
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2006, 67 (07) : 1444 - 1446
  • [6] Investigations of spin-Hamiltonian parameters and defect structures for two tetragonal Cu2+ centers in KTaO3 crystal
    Yang, Wei-Qing
    Zheng, Wen-Chen
    Su, Ping
    Liu, Hong-Gang
    CRYSTAL RESEARCH AND TECHNOLOGY, 2010, 45 (11) : 1132 - 1136
  • [7] Theoretical studies on the optical spectra and EPR parameters for trigonal Yb3+ center in CsCdBr3 crystal
    Dong, HN
    Wu, SY
    Luo, XB
    Tang, H
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2005, 61 (04) : 637 - 639
  • [8] Studies of the spin-Hamiltonian parameters and defect structures for the tetragonal and cubic Yb3+ centers in AgCl crystal
    Zheng Wen-Chen
    Liu Hong-Gang
    Su Ping
    Yang Yu-Guang
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2011, 84 (01) : 164 - 167
  • [9] EPR OF CO2+ IN KTAO3
    HANNON, DM
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1971, 43 (01): : K21 - &
  • [10] EPR and dielectric relaxation of Fe3+ in KTaO3
    Geifman, IN
    Golovina, IS
    Kozlova, IV
    PHYSICS OF THE SOLID STATE, 1997, 39 (05) : 766 - 769
12345