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dc.contributor.author | Sans-Tresserras, Juan Ángel | es_ES |
dc.contributor.author | Vilaplana Cerda, Rosario Isabel | es_ES |
dc.contributor.author | Da Silva, E. Lora | es_ES |
dc.contributor.author | Popescu, Catalin | es_ES |
dc.contributor.author | Cuenca-Gotor, Vanesa Paula | es_ES |
dc.contributor.author | Andrada-Chacón, Adrián | es_ES |
dc.contributor.author | Sánchez-Benitez, Javier | es_ES |
dc.contributor.author | Gomis, O. | es_ES |
dc.contributor.author | Pereira, André L. J. | es_ES |
dc.contributor.author | Rodríguez-Hernández, Plácida | es_ES |
dc.contributor.author | Muñoz, Alfonso | es_ES |
dc.contributor.author | Daisenberger, Dominik | es_ES |
dc.contributor.author | García-Domene, Braulio | es_ES |
dc.contributor.author | Segura, Alfredo | es_ES |
dc.contributor.author | Errandonea, Daniel | es_ES |
dc.contributor.author | Manjón, Francisco-Javier | es_ES |
dc.date.accessioned | 2021-02-19T04:33:09Z | |
dc.date.available | 2021-02-19T04:33:09Z | |
dc.date.issued | 2020-07-20 | es_ES |
dc.identifier.issn | 0020-1669 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/161835 | |
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 https://doi.org/10.1021/acs.inorgchem.0c01086. | es_ES |
dc.description.abstract | [EN] High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of the topological electron density and electronic localization function, evidence the presence of an isostructural phase transition around 2 GPa, a Fermi resonance around 3.5 GPa, and a pressure-induced decomposition of SnSb2Te4 into the high-pressure phases of its parent binary compounds (alpha-Sb2Te3 and SnTe) above 7 GPa. The internal polyhedral compressibility, the behavior of the Raman-active modes, the electrical behavior, and the nature of its different bonds under compression have been discussed and compared with their parent binary compounds and with related ternary materials. In this context, the Raman spectrum of SnSb2Te4 exhibits vibrational modes that are associated but forbidden in rocksalt-type SnTe; thus showing a novel way to experimentally observe the forbidden vibrational modes of some compounds. Here, some of the bonds are identified with metavalent bonding, which were already observed in their parent binary compounds. The behavior of SnSb2Te4 is framed within the extended orbital radii map of BA(2)Te(4) compounds, so our results pave the way to understand the pressure behavior and stability ranges of other "natural van der Waals" compounds with similar stoichiometry. | es_ES |
dc.description.sponsorship | This work has been performed under financial support from the Spanish MINECO under Project MALTA-CONSOLIDER TEAM network (RED2018-102612-T) and Project FIS2017-83295-P, from Generalitat Valenciana under Project PROMETEO/2018/123. This publication is a product of the "Programa de Valoracion y Recursos Conjuntos de I+D+i VLC/CAMPUS and has been financed by the Spanish Ministerio de Educacion, Cultura y Deporte, as part of "Programa Campus de Excelencia Internacional". Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. J.A.S. acknowledges a "Ramon y Cajal" fellowship (RYC-2015-17482) for financial support, and E.L.D.S. acknowledges Marie Sklodowska-Curie Grant No. 785789-COMEX from the European Union's Horizon 2020 research and innovation program. We also thank ALBA synchrotron and DIAMOND light source for funded experiments. | es_ES |
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 | SnSb2Te4 | es_ES |
dc.subject | Van der Waals | es_ES |
dc.subject | Deformation | es_ES |
dc.subject | Chemical structure | es_ES |
dc.subject | Compression | es_ES |
dc.subject | Compressibility | es_ES |
dc.subject | Cations | es_ES |
dc.subject.classification | FISICA APLICADA | es_ES |
dc.title | Characterization and Decomposition of the Natural van der Waals SnSb2Te4 under Compression | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1021/acs.inorgchem.0c01086 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/785789/EU/COmputational Modelling for EXtreme conditions/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/GVA//PROMETEO%2F2018%2F123/ES/Materiales avanzados para el uso eficiente de la energia (EFIMAT)/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//RYC-2015-17482/ES/RYC-2015-17482/ | 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/ES/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.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 | Sans-Tresserras, JÁ.; Vilaplana Cerda, RI.; Da Silva, EL.; Popescu, C.; Cuenca-Gotor, VP.; Andrada-Chacón, A.; Sánchez-Benitez, J.... (2020). Characterization and Decomposition of the Natural van der Waals SnSb2Te4 under Compression. Inorganic Chemistry. 59(14):9900-9918. https://doi.org/10.1021/acs.inorgchem.0c01086 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | https://doi.org/10.1021/acs.inorgchem.0c01086 | es_ES |
dc.description.upvformatpinicio | 9900 | es_ES |
dc.description.upvformatpfin | 9918 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 59 | es_ES |
dc.description.issue | 14 | es_ES |
dc.identifier.pmid | 32640163 | es_ES |
dc.relation.pasarela | S\416900 | es_ES |
dc.contributor.funder | Generalitat Valenciana | es_ES |
dc.contributor.funder | European Commission | es_ES |
dc.contributor.funder | Ministerio de Educación, Cultura y Deporte | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad | es_ES |
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