Ab initio embedded cluster calculations of the electronic structure and properties of the Yb charge transfer luminescence centres

被引:4
作者
Krasikov, D. [1 ]
Mikhailin, V. [1 ]
Scherbinin, A. [2 ]
机构
[1] Moscow MV Lomonosov State Univ, Dept Phys, Moscow 119991, Russia
[2] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia
来源
2008 INTERNATIONAL CONFERENCE ON LUMINESCENCE AND OPTICAL SPECTROSCOPY OF CONDENSED MATTER | 2009年 / 2卷 / 02期
关键词
MODEL;
D O I
10.1016/j.phpro.2009.07.041
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The results of the theoretical investigation of Yb charge transfer luminescence (CTL) in sesqiuoxide matrices involving ab initio cluster calculations are presented in this paper. Different parameters such as Stokes shift, excitation and emission wavelengths, bandwidths and radiative lifetimes are derived from the calculations and compared with the results of the spectroscopic measurements. The best agreement between the calculated and the measured parameters is obtained for the case of the hole localized on a single oxygen ion in the Yb first coordination sphere.
引用
收藏
页码:559 / 565
页数:7
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