Model of Y2O3-Yb charge-transfer luminescence based on ab initio cluster calculations

被引：15

作者：

Krasikov, D. N. ^{[1
]}

Scherbinin, A. V. ^{[2
]}

Vasil'ev, A. N. ^{[1
]}

Kamenskikh, I. A. ^{[1
]}

Mikhailin, V. V. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Phys, Moscow 119992, Russia

[2] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia

来源：

JOURNAL OF LUMINESCENCE | 2008年 / 128卷 / 11期

关键词：

charge-transfer luminescence; sesquioxide; ab initio; Hartree-Fock; embedded cluster; hole localization;

D O I：

10.1016/j.jlumin.2008.04.001

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Theoretical description of the charge-transfer state arising in Y2O3-Yb crystal after excitation is proposed on the basis of ab initio embedded cluster calculations. The best agreement with experimental data was obtained for a hole localized on a 2p orbitals of one of the oxygen ions surrounding the Yb3+ ion. Parameters of the charge-transfer luminescence such as Stokes shift, maxima of the absorption and emission bands and radiative lifetime obtained from the ab initio calculations are in fair agreement with the experimental data. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：1748 / 1752

页数：5

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