Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications

被引：10

作者：

Choudhary, Kamal ^{[1
]}

Chernatynskiy, Aleksandr ^{[1
]}

Mathew, Kiran ^{[2
]}

Bucholz, Eric W. ^{[3
]}

Phillpot, Simon R. ^{[1
]}

Sinnott, Susan B. ^{[1
]}

Hennig, Richard G. ^{[1
,2
]}

机构：

[1] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA

[2] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA

[3] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA

来源：

APPLIED PHYSICS LETTERS | 2015年 / 107卷 / 11期

基金：

美国国家科学基金会;

关键词：

OPTICAL-PROPERTIES; ELECTRONIC-STRUCTURE; YAG; DEFECTS; CE3+; 1ST-PRINCIPLES; EFFICIENCY; PHOSPHORS;

D O I：

10.1063/1.4929434

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We systematically elucidate the optoelectronic properties of rare-earth doped and Ce co-doped yttrium aluminum garnet (YAG) using hybrid exchange-correlation functional based density functional theory. The predicted optical transitions agree with the experimental observations for single doped Ce:YAG, Pr:YAG, and co-doped Er, Ce:YAG. We find that co-doping of Ce-doped YAG with any lanthanide except Eu and Lu lowers the transition energies; we attribute this behavior to the lanthanide-induced change in bonding environment of the dopant atoms. Furthermore, we find infrared transitions only in case of the Er, Tb, and Tm co-doped Ce:YAG and suggest Tm, Ce:YAG and Tb, Ce:YAG as possible functional materials for efficient spectral up-conversion devices. (C) 2015 AIP Publishing LLC.

引用

页数：5

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