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High-pressure theoretical and experimental study of HgWO4

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High-pressure theoretical and experimental study of HgWO4

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dc.contributor.author Lopez-Solano, J. es_ES
dc.contributor.author Rodriguez-Hernandez, Plácida es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Santamaria-Perez, David es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author Ray, S. es_ES
dc.contributor.author Gomis Hilario, Oscar es_ES
dc.contributor.author Mollar García, Miguel Alfonso es_ES
dc.contributor.author Panchal, V. es_ES
dc.contributor.author Errandonea, Daniel es_ES
dc.date.accessioned 2014-11-24T15:25:09Z
dc.date.issued 2011-03
dc.identifier.issn 0895-7959
dc.identifier.uri http://hdl.handle.net/10251/44703
dc.description This is an Author's Accepted Manuscript of an article published in Lopez-Solano, J.; Rodriguez-Hernandez, P.; Muñoz, A.; Santamaria-Perez, D. et al.(2011). High-pressure theoretical and experimental study of HgWO4. High Pressure Research. 31(1):58-63. doi:10.1080/08957959.2010.521735
dc.description.abstract HgWO 4 at ambient pressure is characterized using a combination of ab initio calculations, X-ray diffraction and Raman scattering measurements. The effect of low pressure and temperature on the structural stability is analysed. Extending our ab initio study to the range of higher pressures, a sequence of stable phases up to 30GPa is proposed. © 2011 Taylor & Francis. es_ES
dc.description.sponsorship We thank J.M. Menendez for his help in the use of the GIBBS code. This work has been supported by the Spanish MEC under Projects MAT2007-65990-C03-01/03, MAT2010-21270-C04-03/04 and CSD-2007-00045 and by the "Vicerrectorado de Innovacion y Desarrollo de la UPV" (PAID-05-2009 through project UPV2010-0096). We gratefully acknowledge computational time provided by the "Red Espanola de Supercomputacion" at the supercomputer "Atlante". S. R. acknowledges financial support from the "Vicerrectorado de Investigacion de la UPV" through grant PAID-02-09-3085. en_EN
dc.language Inglés es_ES
dc.publisher Taylor & Francis es_ES
dc.relation.ispartof High Pressure Research es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Phase transitions es_ES
dc.subject Tungstates es_ES
dc.subject Ab initio calculations es_ES
dc.subject Raman scattering es_ES
dc.subject X-ray diffraction es_ES
dc.subject Ab initio study es_ES
dc.subject Ambient pressures es_ES
dc.subject Experimental studies es_ES
dc.subject Low pressures es_ES
dc.subject Raman Scattering measurements es_ES
dc.subject Stable phasis es_ES
dc.subject Structural stabilities es_ES
dc.subject Diffraction es_ES
dc.subject Pressure effects es_ES
dc.subject Scattering es_ES
dc.subject Stability es_ES
dc.subject Tungsten compounds es_ES
dc.subject X ray diffraction es_ES
dc.subject X rays es_ES
dc.subject Calculations es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title High-pressure theoretical and experimental study of HgWO4 es_ES
dc.type Artículo es_ES
dc.embargo.lift 10000-01-01
dc.embargo.terms forever es_ES
dc.identifier.doi 10.1080/08957959.2010.521735
dc.relation.projectID info:eu-repo/grantAgreement/MEC//MAT2007-65990-C03-01/ES/SINTESIS Y CARACTERIZACION DE NUEVOS MATERIALES DE INTERES TECNOLOGICO BAJO CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA: PROPIEDADES ESTRUCTURALES, OPTICAS, ELECTRONICAS Y DINAMICA DE RED./ / es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//UPV2010-0096/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//PAID-02-09-3085/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-03/ES/MATERIALES, NANOMATERIALES Y AGREGRADOS BAJO CONDICIONES EXTREMAS. PROPIEDADES ELECTRONICAS Y DINAMICAS DESDE METODOS AB INITIO/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//MAT2007-65990-C03-03/ES/DISEÑO, ESTUDIO Y CARACTERIZACION DE MATERIALES Y NANO-MATERIALES DE INTERES TECNOLOGICO BAJO CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA: MODELIZACION Y CARACTERIZACION DESDE PRIMEROS PRINCIPIOS/ / es_ES
dc.rights.accessRights Abierto 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.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. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.description.bibliographicCitation Lopez-Solano, J.; Rodriguez-Hernandez, P.; Muñoz, A.; Santamaria-Perez, D.; Manjón Herrera, FJ.; Ray, S.; Gomis Hilario, O.... (2011). High-pressure theoretical and experimental study of HgWO4. High Pressure Research. 31(1):58-63. https://doi.org/10.1080/08957959.2010.521735 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://www.tandfonline.com/doi/abs/10.1080/08957959.2010.521735#.Uo3ol9Iz2Xw es_ES
dc.description.upvformatpinicio 58 es_ES
dc.description.upvformatpfin 63 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 31 es_ES
dc.description.issue 1 es_ES
dc.relation.senia 41422
dc.identifier.eissn 1477-2299
dc.contributor.funder Universitat Politècnica de València es_ES
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