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High-pressure structural and vibrational properties of monazite-type BiPO4, LaPO4, CePO4, and PrPO4

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High-pressure structural and vibrational properties of monazite-type BiPO4, LaPO4, CePO4, and PrPO4

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dc.contributor.author Errandonea, D. es_ES
dc.contributor.author Gomis, O. es_ES
dc.contributor.author Rodríguez Hernández, Plácida es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Ruiz Fuertes, J. es_ES
dc.contributor.author Gupta, M. es_ES
dc.contributor.author Achary, S.N. es_ES
dc.contributor.author Hirsch, A. es_ES
dc.contributor.author Manjón, Francisco-Javier es_ES
dc.contributor.author Peters, L. es_ES
dc.contributor.author Roth, G. es_ES
dc.contributor.author Tyagi, A.K. es_ES
dc.contributor.author Bettinelli, Marco es_ES
dc.date.accessioned 2019-07-31T20:01:59Z
dc.date.available 2019-07-31T20:01:59Z
dc.date.issued 2018 es_ES
dc.identifier.issn 0953-8984 es_ES
dc.identifier.uri http://hdl.handle.net/10251/124595
dc.description.abstract [EN] Monazite-type BiPO4, LaPO4, CePO4, and PrPO4 have been studied under high pressure by ab initio simulations and Raman spectroscopy measurements in the pressure range of stability of the monazite structure. A good agreement between experimental and theoretical Raman-active mode frequencies and pressure coefficients has been found which has allowed us to discuss the nature of the Raman-active modes. Besides, calculations have provided us with information on how the crystal structure is modified by pressure. This information has allowed us to determine the equation of state and the isothermal compressibility tensor of the four studied compounds. In addition, the information obtained on the polyhedral compressibility has been used to explain the anisotropic axial compressibility and the bulk compressibility of monazite phosphates. Finally, we have carried out a systematic discussion on the high-pressure behavior of the four studied phosphates in comparison to results of previous studies. es_ES
dc.description.sponsorship The authors are thankful for the financial support to this research from the Spanish Ministerio de Economia y Competitividad, the Spanish Research Agency, and the European Fund for Regional Development under Grant Nos: MAT2016-75586-C4-1-P/2-P/3-P and MAT2015-71070-REDC. AM and PR-H acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. es_ES
dc.language Inglés es_ES
dc.publisher IOP Publishing es_ES
dc.relation.ispartof Journal of Physics Condensed Matter es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Monazite es_ES
dc.subject Orthophosphate es_ES
dc.subject High pressure es_ES
dc.subject Equation of state es_ES
dc.subject Raman es_ES
dc.subject Ab initio calculations es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title High-pressure structural and vibrational properties of monazite-type BiPO4, LaPO4, CePO4, and PrPO4 es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1088/1361-648X/aaa20d es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-2-P/ES/COMPUESTOS ABO3 Y A2X3 EN CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2015-71070-REDC/ES/MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAM/ 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.description.bibliographicCitation Errandonea, D.; Gomis, O.; Rodríguez Hernández, P.; Muñoz, A.; Ruiz Fuertes, J.; Gupta, M.; Achary, S.... (2018). High-pressure structural and vibrational properties of monazite-type BiPO4, LaPO4, CePO4, and PrPO4. Journal of Physics Condensed Matter. 30(6). https://doi.org/10.1088/1361-648X/aaa20d es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion htto://doi.org/10.1088/1361-648X/aaa20d es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 30 es_ES
dc.description.issue 6 es_ES
dc.relation.pasarela S\351913 es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES


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