Theoretical studies of local structures and spin hamiltonian parameters for Cu2+ in alkali barium borate glasses |
| |
| Authors: | L. J. Zhang S. Y. Wu C. C. Ding Y. Q. Xu L. N. Wu |
| |
| Affiliation: | 1.Department of Applied Physics, School of Physical Electronics,University of Electronic Science and Technology of China,Chengdu,P. R. China |
| |
| Abstract: | 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 3d 9 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. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
