Title of article
Pressure-induced phase transition in tysonite LaF3 Original Research Article
Author/Authors
P. Modak، نويسنده , , A.K. Verma، نويسنده , , S. Ghosh، نويسنده , , G.P. Das، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
5
From page
922
To page
926
Abstract
We have studied the high-pressure phase stability of LaF3 using full-potential linear augmented plane wave method. We have shown that experimentally observed orthorhombic phase is less stable compared to the theoretically predicted tetragonal structure above 25 GPa pressure. The structural transition is mainly due to the steric repulsion of ions and electrons to higher pressures.
Keywords
A. Optical materials , C. ab initio calculations , D. Phase transitions , D. Electronic structure
Journal title
Journal of Physics and Chemistry of Solids
Serial Year
2009
Journal title
Journal of Physics and Chemistry of Solids
Record number
1310792
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