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http://hdl.handle.net/2445/57144
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DC Field | Value | Language |
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dc.contributor.author | Sabalisck, Nanci Prado | - |
dc.contributor.author | López-Solano, Javier | - |
dc.contributor.author | Guzmán-Afonso, Candelaria | - |
dc.contributor.author | Santamaría-Pérez, David | - |
dc.contributor.author | González-Silgo, Cristina | - |
dc.contributor.author | Mujica, Andrés | - |
dc.contributor.author | Muñoz, A. | - |
dc.contributor.author | Rodríguez-Hernández, P. | - |
dc.contributor.author | Radescu, S. | - |
dc.contributor.author | Vendrell, Xavier | - |
dc.contributor.author | Mestres i Vila, Ma. Lourdes | - |
dc.contributor.author | Sans, J. A. | - |
dc.contributor.author | Manjón, F. J. | - |
dc.date.accessioned | 2014-09-15T07:34:10Z | - |
dc.date.available | 2014-09-15T07:34:10Z | - |
dc.date.issued | 2014-05-27 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/2445/57144 | - |
dc.description.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. | - |
dc.format.extent | 11 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | American Physical Society | - |
dc.relation.isformatof | Reproducció del document publicat a: http://dx.doi.org/10.1103/PhysRevB.89.174112 | - |
dc.relation.ispartof | Physical Review B, 2014, vol. 89, p. 174112-1-174112-11 | - |
dc.relation.uri | http://dx.doi.org/10.1103/PhysRevB.89.174112 | - |
dc.rights | (c) American Physical Society, 2014 | - |
dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
dc.subject.classification | Terres rares | - |
dc.subject.classification | Difracció de raigs X | - |
dc.subject.classification | Espectroscòpia Raman | - |
dc.subject.classification | Propietats òptiques | - |
dc.subject.classification | Ferromagnetisme | - |
dc.subject.other | Rare earths | - |
dc.subject.other | X-rays diffraction | - |
dc.subject.other | Raman spectroscopy | - |
dc.subject.other | Optical properties | - |
dc.subject.other | Ferromagnetism | - |
dc.title | Effect of pressure on La2(WO4)3 with a modulated scheelite-type structure | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 643010 | - |
dc.date.updated | 2014-09-15T07:34:10Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
Files in This Item:
File | Description | Size | Format | |
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643010.pdf | 1.11 MB | Adobe PDF | View/Open |
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