Mechanisms of nonstoichiometry in Y3Al5O12

被引：93
|
作者：
Patel, A. P. [1 ]
Levy, M. R. [1 ]
Grimes, R. W. [1 ]
Gaume, R. M. [2 ]
Feigelson, R. S. [2 ]
McClellan, K. J. [3 ]
Stanek, C. R. [3 ]
机构：
[1] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2AZ, England
[2] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA
[3] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA
来源：
APPLIED PHYSICS LETTERS | 2008年 / 93卷 / 19期
基金：
英国工程与自然科学研究理事会;
关键词：
antisite defects; lattice constants; phase diagrams; stoichiometry; yttrium compounds;
D O I：
10.1063/1.3002303
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Currently, Y2O3-Al2O3 phase diagrams do not show the technologically significant yttrium aluminum garnet (Y3Al5O12,YAG) phase as deviating from the stoichiometric ratio, i.e., YAG is always expressed as a line compound. In this paper, we not only report the synthesis of nonstoichiometric YAG, but also the use of atomistic simulation to predict the defect structure associated with the deviation. By comparing the experimental variation in the lattice parameter as a function of deviation from stoichiometry with the defect volume changes predicted by atomistic simulation, we predict that nonstoichiometry in YAG proceeds via cation antisite defects.
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页数：3
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