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dc.contributor.author | Liang, A. | es_ES |
dc.contributor.author | Popescu, C. | es_ES |
dc.contributor.author | Manjón, Francisco-Javier | es_ES |
dc.contributor.author | Rodriguez-Hernandez, P. | es_ES |
dc.contributor.author | Muñoz, A. | es_ES |
dc.contributor.author | Hebboul, Z. | es_ES |
dc.contributor.author | Errandonea, D. | es_ES |
dc.date.accessioned | 2023-11-08T19:01:39Z | |
dc.date.available | 2023-11-08T19:01:39Z | |
dc.date.issued | 2021-02-02 | es_ES |
dc.identifier.issn | 0163-1829 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/199463 | |
dc.description.abstract | [EN] We report a characterization of the high-pressure behavior of zinc iodate, Zn(IO3)(2). By the combination of x-ray diffraction, Raman spectroscopy, and first-principles calculations we have found evidence of two subtle isosymmetric structural phase transitions. We present arguments relating these transitions to a nonlinear behavior of phonons and changes induced by pressure on the coordination sphere of the iodine atoms. This fact is explained as a consequence of the formation of metavalent bonding at high pressure which is favored by the lone-electron pairs of iodine. In addition, the pressure dependence of unit-cell parameters, volume, and bond distances is reported. An equation of state to describe the pressure dependence of the volume is presented, indicating that Zn(IO3)(2) is the most compressible iodate among those studied up to now. Finally, phonon frequencies are reported together with their symmetry assignment and pressure dependence. | es_ES |
dc.description.sponsorship | This work was supported by the Spanish Ministry of Science, Innovation and Universities under Grants No. PID2019-106383GB-C41/42/43 and No. RED2018-102612-T (MALTA Consolider-Team Network) and by Generalitat Valenciana under Grant No. Prometeo/2018/123 (EFIMAT). A.L. and D.E. would like to thank the Generalitat Valenciana for the Ph.D. Fellowship No. GRISOLIAP/2019/025). C.P. is thankful for the financial support of the Spanish Mineco Project No. FIS2017-83295-P. Powder x-ray diffractionexperiments were performed at the Materials Science and Powder Diffraction beamline of ALBA Synchrotron (Alba Experiment No. 2019083663). Z.H. sincerely thanks Professor I. K. Lefkaier -Laboratoire Physique des Materiaux (LPM) University of Laghouat Algeria -for the support and fruitful discussions. | es_ES |
dc.language | Inglés | es_ES |
dc.publisher | AMERICAN PHYSICAL SOCIETY | es_ES |
dc.relation.ispartof | PHYSICAL REVIEW B-CONDENSED MATTER | es_ES |
dc.rights | Reserva de todos los derechos | es_ES |
dc.subject.classification | FISICA APLICADA | es_ES |
dc.title | Structural and vibrational study of Zn(IO3)(2) combining high-pressure experiments and density-functional theory | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1103/PhysRevB.103.054102 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/FIS2017-83295-P/ES/EN BUSCA DE LA REACCION DEL HELIO EN CONDICIONES EXTREMAS/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI//RED2018-102612-T//MALTA- CONSOLIDER TEAM/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C41/ES/OXIDOS Y METALES BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICAS/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/Generalitat Valenciana//GVPROMETEO2018-123//Materiales avanzados para el uso eficiente de la energia (EFIMAT)/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C42/ES/SESQUIOXIDOS Y COMPUESTOS METAVALENTES BAJO CONDICIONES EXTREMAS/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/GVA//GRISOLIAP%2F2019%2F025/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C43/ES/SIMULACIONES AB INITIO DE MATERIALES AVANZADOS BAJO CONDICIONES EXTREMAS/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MICINN//FIs2017-83295-P/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/ALBA Synchrotron Light Source//2019083663/ | es_ES |
dc.rights.accessRights | Abierto | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Escuela Técnica Superior de Ingeniería del Diseño - Escola Tècnica Superior d'Enginyeria del Disseny | es_ES |
dc.description.bibliographicCitation | Liang, A.; Popescu, C.; Manjón, F.; Rodriguez-Hernandez, P.; Muñoz, A.; Hebboul, Z.; Errandonea, D. (2021). Structural and vibrational study of Zn(IO3)(2) combining high-pressure experiments and density-functional theory. PHYSICAL REVIEW B-CONDENSED MATTER. 103(5):1-12. https://doi.org/10.1103/PhysRevB.103.054102 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | https://doi.org/10.1103/PhysRevB.103.054102 | es_ES |
dc.description.upvformatpinicio | 1 | es_ES |
dc.description.upvformatpfin | 12 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 103 | es_ES |
dc.description.issue | 5 | es_ES |
dc.relation.pasarela | S\442895 | es_ES |
dc.contributor.funder | Generalitat Valenciana | es_ES |
dc.contributor.funder | ALBA Synchrotron Light Source | es_ES |
dc.contributor.funder | AGENCIA ESTATAL DE INVESTIGACION | es_ES |
dc.contributor.funder | Agencia Estatal de Investigación | es_ES |
dc.contributor.funder | Ministerio de Educación y Ciencia e Innovación | es_ES |