Ab-initio calculation of excited state absorption of Cr4+ in Y3Al5O12

被引:24
作者
Ching, WY [1 ]
Xu, YN
Brickeen, BK
机构
[1] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA
[2] Allied Signal FM&T, Kansas City, MO 64141 USA
关键词
D O I
10.1063/1.124170
中图分类号
O59 [应用物理学];
学科分类号
摘要
The Cr3+ and Cr4+ impurity states in Y3Al5O12 (YAG) crystal are studied by ab-initio supercell calculations using the density-functional theory. Calculations are carried out with Cr substitutions at the octahedral and tetrahedral Al sites including the effect of Ca co-doping. Optical transitions between various levels and to conduction band states are also calculated. A model for excited state absorption for Cr4+ in YAG is proposed. (C) 1999 American Institute of Physics. [S0003-6951(99)00125-4].
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页码:3755 / 3757
页数:3
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