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Issue 43, 2018
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Experimental and theoretical study on the optical properties of LaVO4 crystals under pressure

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Abstract

We report optical absorption and luminescence measurements in pure and trivalent neodymium (Nd3+) doped LaVO4 crystals up to 25 GPa. Nd3+ luminescence has been employed as a tool to follow the structural changes in the crystal. We also present band-structure and crystal-field calculations that provide the theoretical framework to accurately explain the observed experimental results. In particular, both optical absorption and luminescence measurements evidence that a phase transition takes place close to 12 GPa. They also provide information on the pressure dependence of the band-gap as well as the emission lines under compression. We found drastic changes in the optical properties of LaVO4 when the phase transition to a BaWO4-II structure occurs, which can be related to changes in the coordination number of vanadium ions and in the local sites of Nd3+. Reported results are analyzed in comparison with those of previous X-ray diffraction and Raman experiments, as well as with the features of related compounds. For the first time, a consistent picture is reported explaining the behavior of the optical and electronic properties of LaVO4 at high-pressures.

Graphical abstract: Experimental and theoretical study on the optical properties of LaVO4 crystals under pressure

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Publication details

The article was received on 24 Jul 2018, accepted on 17 Oct 2018 and first published on 17 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP04701D
Citation: Phys. Chem. Chem. Phys., 2018,20, 27314-27328
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    Experimental and theoretical study on the optical properties of LaVO4 crystals under pressure

    J. E. Muñoz-Santiuste, V. Lavín, U. R. Rodríguez-Mendoza, Ch. Ferrer-Roca, D. Errandonea, D. Martínez-García, P. Rodríguez-Hernández, A. Muñoz and M. Bettinelli, Phys. Chem. Chem. Phys., 2018, 20, 27314
    DOI: 10.1039/C8CP04701D

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