Defect chemistry of doped bixbyite oxides

被引：37

作者：

Levy, Mark R.

Stanek, Christopher R.

Chroneos, Alexander

Grimes, Robin W. ^{[1
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2BP, England

[2] Los Alamos Natl Lab, Los Alamos, NM 87545 USA

[3] NCSR Demokritos, Inst Microelect, Aghia Paraskevi 15310, Greece

来源：

SOLID STATE SCIENCES | 2007年 / 9卷 / 07期

关键词：

defect energies; atomistic simulation; oxides; rare earth; bixbyite; scintillators;

D O I：

10.1016/j.solidstatesciences.2007.02.009

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Activated bixbyite oxides (e.g. Eu:LU2O3) are being considered as radiation detectors. In an attempt to improve their optical efficiency and decrease afterglow, these compounds have been doped with aliovalent cations. Here, atomistic scale computer simulation has been used to predict the defect processes associated with the solution of extrinsic divalent and tetravalent ions. These calculations provide a mechanistic framework through which it is possible to identify how specitic doping schemes modify the populations of defects that could influence scintillator performance. A change in solution site preference is predicted for both divalent and tetravalent solutions as a function of dopant and host lattice cation radii. (c) 2007 Elsevier Masson SAS. All rights reserved.

引用

页码：588 / 593

页数：6

共 37 条

[1] Accommodation of impurities in α-Al2O3, α-Cr2O3 and α-Fe2O3 [J].