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Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements

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Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements

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dc.contributor.author Panchal, V. es_ES
dc.contributor.author López Moreno, S. es_ES
dc.contributor.author Santamaría-Pérez, D. es_ES
dc.contributor.author Errandonea, D. es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author Rodríguez-Hernández, P. es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Achary, S. N. es_ES
dc.contributor.author Tyagi, A. K. es_ES
dc.date.accessioned 2015-03-20T10:08:17Z
dc.date.available 2015-03-20T10:08:17Z
dc.date.issued 2011-07-07
dc.identifier.issn 1098-0121
dc.identifier.uri http://hdl.handle.net/10251/48138
dc.description.abstract X-ray diffraction and Raman-scattering measurements on cerium vanadate have been performed up to 12 and 16 GPa, respectively. Experiments reveal at 5.3 GPa the onset of a pressure-induced irreversible phase transition from the zircon to the monazite structure. Beyond this pressure, diffraction peaks and Raman-active modes of the monazite phase are measured. The zircon-to-monazite transition in CeVO4 is distinctive among the other rare-earth orthovanadates. We also observed softening of external translational T(Eg) and internal ν2(B2g) bending modes. We attribute it to mechanical instabilities of zircon phase against the pressure-induced distortion. We additionally report lattice-dynamical and total-energy calculations which are in agreement with the experimental results. Finally, the effect of nonhydrostatic stresses on the structural sequence is studied and the equations of state of different phases are reported.©2011 American Physical Society es_ES
dc.description.sponsorship Research financed by the Spanish MCINN under Grant Nos. MAT2010-21270-C04-01/02/04, CSD2007-00045, and CTQ2009-14596-C02-01. Some of the authors are members of the MALTA Consolider Team. S. L.-M. acknowledges the financial support of the CONACyT Mexico under a postdoctoral fellowship. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. en_EN
dc.language Inglés es_ES
dc.publisher American Physical Society es_ES
dc.relation.ispartof Physical Review B es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Initio molecular-dynamics es_ES
dc.subject Total-Energy calculations es_ES
dc.subject Pressure-induced zircon es_ES
dc.subject Augmented-wave method es_ES
dc.subject Electronic-Properties es_ES
dc.subject Basis-set es_ES
dc.subject Crystals es_ES
dc.subject Stability es_ES
dc.subject Spectra es_ES
dc.subject Metals es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.84.024111
dc.relation.projectID info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-01/ES/SINTESIS Y CARACTERIZACION OPTICA, ELECTRONICA, ESTRUCTURAL Y VIBRACIONAL DE NUEVOS MATERIALES BAJO CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-02/ES/SINTESIS Y CARACTERIZACION DE MATERIALES CON IONES LUMINESCENTES BAJO CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-04/ES/CRECIMIENTO Y CARACTERIZACION DE NANOESTRUCTURAS DE OXIDOS METALICOS BAJO ALTAS PRESIONES/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada es_ES
dc.description.bibliographicCitation Panchal, V.; López Moreno, S.; Santamaría-Pérez, D.; Errandonea, D.; Manjón Herrera, FJ.; Rodríguez-Hernández, P.; Muñoz, A.... (2011). Zircon to monazite phase transition in CeVO4: X-ray diffraction and Raman-scattering measurements. Physical Review B. 84(2):24111-1-24111-12. doi:10.1103/PhysRevB.84.024111 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://journals.aps.org/prb/pdf/10.1103/PhysRevB.84.024111 es_ES
dc.description.upvformatpinicio 24111-1 es_ES
dc.description.upvformatpfin 24111-12 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 84 es_ES
dc.description.issue 2 es_ES
dc.relation.senia 206492
dc.identifier.eissn 1550-235X
dc.contributor.funder Consejo Nacional de Ciencia y Tecnología, México es_ES
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