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dc.contributor.author | Vilaplana Cerda, Rosario Isabel | es_ES |
dc.contributor.author | Gallego-Parra, Samuel | es_ES |
dc.contributor.author | Jorge-Montero, A. | es_ES |
dc.contributor.author | Rodríguez-Hernández, Plácida | es_ES |
dc.contributor.author | Muñoz, Alfonso | es_ES |
dc.contributor.author | Errandonea, Daniel | es_ES |
dc.contributor.author | Segura, Alfredo | es_ES |
dc.contributor.author | Manjón, Francisco-Javier | es_ES |
dc.date.accessioned | 2018-10-31T11:26:29Z | |
dc.date.available | 2018-10-31T11:26:29Z | |
dc.date.issued | 2018 | es_ES |
dc.identifier.issn | 0020-1669 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/111627 | |
dc.description | This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://doi.org/10.1021/acs.inorgchem.8b00778 | |
dc.description.abstract | [EN] alpha(R)-In2Se3 has been experimentally and theoretically studied under compression at room temperature by means of X-ray diffraction and Raman scattering measurements as well as by ab initio total-energy and lattice-dynamics calculations. Our study has confirmed the alpha (R3m) -> beta' (C2/m) ? beta (R (3) over barm) sequence of pressure-induced phase transitions and has allowed us to understand the mechanism of the monoclinic C2/m to rhombohedral R (3) over barm phase transition. The monoclinic C2/m phase enhances its symmetry gradually until a complete transformation to the rhombohedral R (3) over barm structure is attained above 10-12 GPa. The second-order character of this transition is the reason for the discordance in previous measurements. The comparison of Raman measurements and lattice-dynamics calculations has allowed us to tentatively assign most of the Raman-active modes of the three phases. The comparison of experimental results and simulations has helped to distinguish between the different phases of In2Se3 and resolve current controversies. | es_ES |
dc.description.sponsorship | The authors acknowledge financial support from Spanish government MINECO, the Spanish Agencia Estatal de Investigacion (AEI), and Fondo Europeo de Desarrollo Regional (FEDER) under Grants No. MAT2016-75586-C4-1/2/3-P and MAT2015-71070-REDC. | |
dc.language | Inglés | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation.ispartof | Inorganic Chemistry | es_ES |
dc.rights | Reserva de todos los derechos | es_ES |
dc.subject | Indium selenide | es_ES |
dc.subject | High-pressure | es_ES |
dc.subject | Raman | es_ES |
dc.subject | Ab initio | es_ES |
dc.subject | X-ray diffraction | es_ES |
dc.subject | Phase transition | es_ES |
dc.subject.classification | FISICA APLICADA | es_ES |
dc.title | Experimental and Theoretical Studies on alfa-In2Se3 at High Pressure | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1021/acs.inorgchem.8b00778 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//MAT2015-71070-REDC/ES/MATERIA A ALTA PRESION. MALTA-CONSOLIDER TEAM/ | 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.rights.accessRights | Abierto | es_ES |
dc.date.embargoEndDate | 2019-07-16 | 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 | Vilaplana Cerda, RI.; Gallego-Parra, S.; Jorge-Montero, A.; Rodríguez-Hernández, P.; Muñoz, A.; Errandonea, D.; Segura, A.... (2018). Experimental and Theoretical Studies on alfa-In2Se3 at High Pressure. Inorganic Chemistry. 57:8241-8252. https://doi.org/10.1021/acs.inorgchem.8b00778 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | http://doi.org/10.1021/acs.inorgchem.8b00778 | es_ES |
dc.description.upvformatpinicio | 8241 | es_ES |
dc.description.upvformatpfin | 8252 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 57 | es_ES |
dc.identifier.pmid | 29944355 | |
dc.relation.pasarela | S\365442 | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad | es_ES |