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High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds

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High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds

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dc.contributor.author Ruiz-Fuertes, J. es_ES
dc.contributor.author Errandonea, D. es_ES
dc.contributor.author López-Moreno, S. es_ES
dc.contributor.author González, J. es_ES
dc.contributor.author Gomis Hilario, Oscar es_ES
dc.contributor.author Vilaplana Cerda, Rosario Isabel es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Rodríguez-Hernández, P. es_ES
dc.contributor.author Friedrich, A. es_ES
dc.contributor.author Tupitsyna, I. A. es_ES
dc.contributor.author Nagornaya, L. L. es_ES
dc.date.accessioned 2015-03-06T09:50:42Z
dc.date.available 2015-03-06T09:50:42Z
dc.date.issued 2011-06-30
dc.identifier.issn 1098-0121
dc.identifier.uri http://hdl.handle.net/10251/47796
dc.description.abstract Raman scattering measurements and lattice-dynamics calculations were performed on magnesium tungstate (MgWO 4) under high pressure up to 41 GPa. Experiments were carried out on a selection of pressure media. The influence of nonhydrostaticity on the structural properties of MgWO 4 and isomorphic compounds is examined. Under quasihydrostatic conditions, a phase transition was found at 26 GPa in MgWO 4. The high-pressure phase is tentatively assigned to a triclinic structure similar to that of CuWO 4. We also report and discuss the Raman symmetries, frequencies, and pressure coefficients in the low- and high-pressure phases. In addition, the Raman frequencies for different wolframites are compared and the variation of the mode frequency with the reduced mass across the family is investigated. Finally, the accuracy of theoretical calculations is systematically discussed for MgWO 4, MnWO 4, FeWO 4, CoWO 4, NiWO 4, ZnWO 4, and CdWO 4. © 2011 American Physical Society. es_ES
dc.description.sponsorship Research was financed by the Spanish Ministerio de Educacion y Ciencia (MEC) under Grants No. MAT2010-21270-C04-01/02/04, and No. CSD-2007-00045. J. R.-F. thanks the MEC for support through the FPI program, as well as the SPP1236 central facility in Frankfurt for its use. F. J. M. acknowledges support from Vicerrectorado de Investigacion y Desarrollo de la Universitat Politecnica de Valencia (UPV) (Grant No. UPV2010-0096). A. M. and P. R.-H. acknowledge the supercomputer time provided by the Red Espanola de Supercomputacion. A. F. appreciates support from the German Research Foundation (Grant No. FR2491/2-1). 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 Augmented-wave method es_ES
dc.subject Crystal-structure es_ES
dc.subject Basis-set es_ES
dc.subject Tungstates es_ES
dc.subject Wolframite es_ES
dc.subject Metal es_ES
dc.subject Transition es_ES
dc.subject Phases es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.83.214112
dc.relation.projectID info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//UPV2010-0096/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/DFG//FR2491%2F2-1/ 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. Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica - Centre de Tecnologies Físiques: Acústica, Materials i Astrofísica 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 Ruiz-Fuertes, J.; Errandonea, D.; López-Moreno, S.; González, J.; Gomis Hilario, O.; Vilaplana Cerda, RI.; Manjón Herrera, FJ.... (2011). High-pressure Raman spectroscopy and lattice-dynamics calculations on scintillating MgWO4: A comparison with isomorphic compounds. Physical Review B. 83:214112-1-214112-11. https://doi.org/10.1103/PhysRevB.83.214112 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://journals.aps.org/prb/pdf/10.1103/PhysRevB.83.214112 es_ES
dc.description.upvformatpinicio 214112-1 es_ES
dc.description.upvformatpfin 214112-11 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 83 es_ES
dc.relation.senia 41525
dc.identifier.eissn 1550-235X
dc.contributor.funder Ministerio de Ciencia e Innovación
dc.contributor.funder Ministerio de Educación y Ciencia
dc.contributor.funder Universitat Politècnica de València es_ES
dc.contributor.funder Deutsche Forschungsgemeinschaft es_ES
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