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Title: | Effect of pressure on La2(WO4)3 with a modulated scheelite-type structure |
Author: | Sabalisck, Nanci Prado López-Solano, Javier Guzmán-Afonso, Candelaria Santamaría-Pérez, David González-Silgo, Cristina Mujica, Andrés Muñoz, A. Rodríguez-Hernández, P. Radescu, S. Vendrell, Xavier Mestres i Vila, Ma. Lourdes Sans, J. A. Manjón, F. J. |
Keywords: | Terres rares Difracció de raigs X Espectroscòpia Raman Propietats òptiques Ferromagnetisme Rare earths X-rays diffraction Raman spectroscopy Optical properties Ferromagnetism |
Issue Date: | 27-May-2014 |
Publisher: | American Physical Society |
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. |
Note: | Reproducció del document publicat a: http://dx.doi.org/10.1103/PhysRevB.89.174112 |
It is part of: | Physical Review B, 2014, vol. 89, p. 174112-1-174112-11 |
URI: | http://hdl.handle.net/2445/57144 |
Related resource: | http://dx.doi.org/10.1103/PhysRevB.89.174112 |
ISSN: | 1098-0121 |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
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