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Effect of pressure on La2(WO4)3 with a modulated scheelite-type structure
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dc.contributor.authorSabalisck, Nanci Pradoes_ES
dc.contributor.authorLópez Solano, Javieres_ES
dc.contributor.authorGuzmán-Afonso, Candelariaes_ES
dc.contributor.authorSantamaría Pérez, Davides_ES
dc.contributor.authorGonzález-Silgo, Cristinaes_ES
dc.contributor.authorMújica Fernaud, Andréses_ES
dc.contributor.authorMuñoz González, Alfonsoes_ES
dc.contributor.authorRodríguez-Hernández, Plácidaes_ES
dc.contributor.authorRadescu, Silvanaes_ES
dc.contributor.authorVendrell, Xabieres_ES
dc.contributor.authorMestres, Lourdeses_ES
dc.contributor.authorSans, Juan Ángeles_ES
dc.contributor.authorManjón Herrera, Francisco Javieres_ES
dc.identifier.citationPhysical Review B. 2014, 89, 174112es_ES
dc.description.abstractWe 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.es_ES
dc.description.sponsorshipWe 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.es_ES
dc.publisherAmerican Physical Societyes_ES
dc.subjectCrystal stabilityes_ES
dc.subjectRaman spectroscopyes_ES
dc.subjectOptical propertieses_ES
dc.titleEffect of pressure on La2(WO4)3 with a modulated scheelite-type structurees_ES
Appears in Collections:Artículos científicos 2010-2014

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