Pressure-induced ferroelastic phase transition in LuLiF4compound
Copyright policy )Pressure-induced ferroelastic phase transition in LuLiF4compound
The behavior of LuLiF4 sheelite (I41/a, Z = 4) under hydrostatic pressure was investigated by means of the first principles calculations. The ferroelastic phase transition from the tetragonal structure of LuLiF4 to fergusonite structure (C12/c1, Z = 4) has been found at 10.5 GPa. It has been determined that this is the second order phase transition.
6 pages, 2 figures
- Kazan Federal University Russian Federation
- Institute of Physics Russian Federation
- Centre for Quantum Technologies Singapore
- Institut Supérieur des Matériaux du Mans France
Condensed Matter - Materials Science, fluorides, ab initio calculations, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Computational Physics (physics.comp-ph), 540, 530, phase transitions, high pressure, Physics - Computational Physics
Condensed Matter - Materials Science, fluorides, ab initio calculations, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Computational Physics (physics.comp-ph), 540, 530, phase transitions, high pressure, Physics - Computational Physics
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