Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.11765/11672
Effect of pressure on La2(WO4)3 with a modulated scheelite-type structure
Title: Effect of pressure on La2(WO4)3 with a modulated scheelite-type structure
Authors: Sabalisck, N. P.López-Solano, Javier ORCID RESEARCHERID Guzmán-Afonso, C.Santamaria-Pérez, D.González-Silgo, C.Mujica, A.Muñoz, A.Rodríguez-Hernández, P.Radescu, S.Vendrell, X.Mestres, L.Sans, J. A.Manjón, F. J.
Keywords: Crystal stability; X-ray; Ferromagnetism; Raman spectroscopy; Optical properties
Issue Date: 2014
Publisher: American Physical Society
Citation: Physical Review B. 2014, 89, 174112
Publisher version: https://dx.doi.org/10.1103/PhysRevB.89.174112
Abstract: We have studied the effect of pressure on the structural and vibrational properties of lanthanum tritungstate La2(WO4)3. This compound crystallizes under ambient conditions in the modulated scheelite-type structure known as the α phase.We have performed x-ray diffraction and Raman scattering measurements up to a pressure of 20 GPa, as well as ab initio calculations within the framework of the density functional theory. Up to 5 GPa, the three methods provide a similar picture of the evolution under pressure of α-La2(WO4)3. At 5 GPa, we begin to observe some structural changes, and above 6 GPa we find that the x-ray patterns cannot be indexed as a single phase. However, we find that a mixture of two phases with C2/c symmetry accounts for all diffraction peaks. Our ab initio study confirms the existence of several C2/c structures, which are very close in energy in this compression range. According to our measurements, a state with medium-range order appears at pressures above 9 and 11 GPa, from x-ray diffraction and Raman experiments, respectively. Based upon our theoretical calculations we propose several high-pressure candidates with high cationic coordinations at these pressures. The compound evolves into a partially amorphous phase at pressures above 20 GPa.
Sponsorship : We acknowledge the financial support of the Spanish Ministerio de Economía y Competitividad under Grants MAT2010-21270-C04-02/03/04, CTQ2009-14596-C02-01, CSD2007-00045 and the Comunidad de Madrid and European Social Fund S2009/PPQ-1551-4161893.
URI: http://hdl.handle.net/20.500.11765/11672
ISSN: 2469-9950
2469-9969
Appears in Collections:Artículos científicos 2010-2014


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