Optical properties of Pr and Eu-doped SrAl12O19: A theoretical study

被引：12

作者：

Rezende, Marcos V. dos S. ^{[1
]}

Amaral, Jomar B. ^{[2
]}

Valerio, Mario E. G. ^{[3
]}

Jackson, Robert A. ^{[4
]}

机构：

[1] Univ Fed Sergipe, Dept Fis, BR-49500000 Itabaiana, SE, Brazil

[2] Fac Estacio Sergipe, BR-49020530 Aracaju, SE, Brazil

[3] Univ Fed Sergipe, Dept Fis, BR-49100000 Sao Cristovao, SE, Brazil

[4] Keele Univ, Sch Phys & Geog Sci, Keele ST5 5BG, Staffs, England

来源：

OPTICAL MATERIALS | 2015年 / 48卷

关键词：

Optical properties; Defects; Europium; Praseodymium; RARE-EARTH IONS; SPECTRA; LUMINESCENCE; INTENSITIES; EMISSION;

D O I：

10.1016/j.optmat.2015.07.032

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This paper describes a computational study of extrinsic defect and optical properties of SrAl12O19 induced by trivalent rare earth dopants. Solution energies for a range of possible doping mechanisms are calculated, and predictions made of doping sites and charge-compensation schemes. Atomistic modelling is used to calculate the symmetry and detailed geometry of the dopant ion-host lattice system, and this information is then used to calculate the crystal field parameters. It is found that the preferred doping mechanism for Pr is a substitution at Sr2+ sites, with charge compensation by anti-site and for Eu is a substitution at the Al3+ site. Crystal field parameters have been calculated and the results discussed in terms of optical properties of the doped systems. B-q(k) values indicate that the site symmetry is D-2h. The transition levels are then calculated for the Pr3+ and Eu3+-substituted material, and comparisons made with experimental results have a good agreement. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：105 / 109

页数：5

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