| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1517784 | Journal of Physics and Chemistry of Solids | 2009 | 5 Pages |
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.
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Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
P. Modak, A.K. Verma, S. Ghosh, G.P. Das,