Theoretical studies of local structures and spin hamiltonian parameters for Cu2+ in alkali barium borate glasses

被引：0
|
作者：
L. J. Zhang
S. Y. Wu
C. C. Ding
Y. Q. Xu
L. N. Wu
机构：
[1] University of Electronic Science and Technology of China,Department of Applied Physics, School of Physical Electronics
来源：
Glass Physics and Chemistry | 2017年 / 43卷
关键词：
electron paramagnetic resonance (EPR); defect structures; Cu; 20A; O ∙ 24.5BaO · 55B; O; · 0.5CuO glasses (A = Li, Na, K);
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The local structures and spin Hamiltonian parameters are theoretically studied for Cu2+ in alkali barium borate glasses 20A2O ∙ 24.5BaO · 55B2O3 · 0.5CuO, where A = Li, Na and K by the quantitative calculations of these parameters for tetragonally elongated octahedral 3d9 clusters. The [CuO6]10‒ clusters are subject to the local relative tetragonal elongation ratios 7.8, 8.1 and 8.4% in Li, Na and K barium borate glasses, respectively, owing to the Jahn–Teller effect. The increasing (Li < Na < K) local relative elongation ratio and decreasing cubic field parameter and covalency factor are discussed in a consistent way.
引用
收藏
页码：399 / 403
页数：4
相关论文
共 50 条
  • [31] Investigations on the Local Structures and the Spin Hamiltonian Parameters for Cu2+ in (90-x) TeO2-10GeO2 - xWO3 Glasses
    Feng, Chun-Rong
    Jian, Jun
    Chen, Xiao-Hong
    Du, Quan
    Wang, Ling
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2018, 73 (01): : 5 - 11
  • [32] Studies on the spin Hamiltonian parameters and the defect structures for the two interstitial tetragonal Cu2+ centers in the ZnO nanocrystals
    Department of Applied Physics, School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu
    610054, China
    不详
    562400, China
    Optik, 1600, 3 (1434-1437):
  • [33] Theoretical Studies of the Local Structure and EPR Parameters of Tetragonally Distorted Tetrahedral Cu2+ Sites in Phosphate Glasses
    B. F. Zhang
    J. Z. Lin
    Y. Zhao
    Y. F. Zhang
    Y. F. Han
    Glass Physics and Chemistry, 2022, 48 : 511 - 518
  • [34] Theoretical Studies of the Local Structure and EPR Parameters of Tetragonally Distorted Tetrahedral Cu2+ Sites in Phosphate Glasses
    Zhang, B. F.
    Lin, J. Z.
    Zhao, Y.
    Zhang, Y. F.
    Han, Y. F.
    GLASS PHYSICS AND CHEMISTRY, 2022, 48 (06) : 511 - 518
  • [35] Theoretical studies of the spin Hamiltonian parameters for the two tetragonal Cu2+ centers in the calcined catalysts CuO-ZnO
    Zhang, H. M.
    Wu, S. Y.
    Zhang, Z. H.
    CONDENSED MATTER PHYSICS, 2011, 14 (02)
  • [36] Investigations on the Spin Hamiltonian Parameters for Cu2+ in NaCl and AgCl
    Cheng, Y. -K.
    Wu, S. -Y.
    Ding, C. -C.
    Kuang, M. -Q.
    JOURNAL OF APPLIED SPECTROSCOPY, 2015, 81 (06) : 1064 - 1067
  • [37] Investigations on the Spin Hamiltonian Parameters for Cu2+ in NaCl and AgCl
    Y.-K. Cheng
    S.-Y. Wu
    C.-C. Ding
    M.-Q. Kuang
    Journal of Applied Spectroscopy, 2015, 81 : 1064 - 1067
  • [38] Evolution of local structures in alkali-borate glasses
    Kerner, Richard
    dos Santos-Loff, Dina Maria
    Rosa, Ana Cristina
    PHYSICS AND CHEMISTRY OF GLASSES-EUROPEAN JOURNAL OF GLASS SCIENCE AND TECHNOLOGY PART B, 2024, 65 (02): : 33 - 44
  • [39] Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)2
    H. M. Zhang
    S. Y. Wu
    Z. H. Zhang
    P. Xu
    Journal of Structural Chemistry, 2012, 53 : 260 - 265
  • [40] Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)2
    Zhang, H. M.
    Wu, S. Y.
    Zhang, Z. H.
    Xu, P.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2012, 53 (02) : 260 - 265
12345