When monoclinic monazite-type LaVO4 (space group P21/n) is squeezed up to ∼12 GPa at room temperature, a phase transition to another monoclinic phase has been found. The structure of the high-pressure phase of LaVO4 is indexed with the same space group (P21/n) but with a larger unit cell in which the number of atoms is doubled. The transition leads to an 8% increase in the density of LaVO4. The occurrence of such a transition has been determined by X-ray diffraction, Raman spectroscopy, and ab initio calculations. The combination of the three techniques allows us to also characterize accurately the pressure evolution of unit-cell parameters and the Raman (and IR)-active phonons of the low- and high-pressure phase. In particular, room-temperature equations of state have been determined. The changes driven by pressure in the crystal structure induce sharp modifications in the color of LaVO4 crystals, suggesting that behind the monoclinic-to-monoclinic transition there might be important changes of the electronic properties of LaVO4

Phase Stability of Lanthanum Orthovanadate at High Pressure

BETTINELLI, Marco Giovanni
2016-01-01

Abstract

When monoclinic monazite-type LaVO4 (space group P21/n) is squeezed up to ∼12 GPa at room temperature, a phase transition to another monoclinic phase has been found. The structure of the high-pressure phase of LaVO4 is indexed with the same space group (P21/n) but with a larger unit cell in which the number of atoms is doubled. The transition leads to an 8% increase in the density of LaVO4. The occurrence of such a transition has been determined by X-ray diffraction, Raman spectroscopy, and ab initio calculations. The combination of the three techniques allows us to also characterize accurately the pressure evolution of unit-cell parameters and the Raman (and IR)-active phonons of the low- and high-pressure phase. In particular, room-temperature equations of state have been determined. The changes driven by pressure in the crystal structure induce sharp modifications in the color of LaVO4 crystals, suggesting that behind the monoclinic-to-monoclinic transition there might be important changes of the electronic properties of LaVO4
Atoms; Calculations; Crystal atomic structure
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11562/955368
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