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dc.contributor.author | Vilaplana Cerda, Rosario Isabel | es_ES |
dc.contributor.author | Gomis Hilario, Oscar | es_ES |
dc.contributor.author | Manjón Herrera, Francisco Javier | es_ES |
dc.contributor.author | Ortiz, H. M. | es_ES |
dc.contributor.author | Pérez González, E. | es_ES |
dc.contributor.author | López Solano, Javier | es_ES |
dc.contributor.author | Rodríguez Hernández, Plácida | es_ES |
dc.contributor.author | Múñoz, Alfonso | es_ES |
dc.contributor.author | Errandonea, Daniel | es_ES |
dc.contributor.author | Ursaki, V. | es_ES |
dc.contributor.author | Tiginyanu, Ivan | es_ES |
dc.date.accessioned | 2014-05-08T14:51:33Z | |
dc.date.issued | 2013-08 | |
dc.identifier.issn | 1932-7447 | |
dc.identifier.uri | http://hdl.handle.net/10251/37329 | |
dc.description.abstract | We report on Raman scattering measurements in mercury digallium selenide (HgGa2Se4) up to 25 GPa. We also performed, for the low-pressure defect-chalcopyrite structure, lattice-dynamics ab initio calculations at high pressures which agree with experiments. Measurements evidence that the semiconductor HgGa2Se4 exhibits a pressure-induced phase transition above 19 GPa to a previously undetected structure. This transition is followed by a transformation to a Raman-inactive phase above 23.4 GPa. On downstroke from 25 GPa until 2.5 GPa, a broad Raman spectrum was observed, which has been attributed to a fourth phase, and whose pressure dependence was followed during a second upstroke. Candidate structures for the three phases detected under compression are proposed. Finally, we also report and discuss the decomposition of the sample by laser heating at pressures close to 19 GPa. As possible products of decomposition, we have identified at least the formation of trigonal selenium nanoclusters and cinnabar-type HgSe. | es_ES |
dc.description.sponsorship | This study was supported by the Spanish government MEC under Grant No. MAT2010-21270-004-01/03/04, by MALTA Consolider Ingenio 2010 project (CSD2007-00045), by Generalitat Valenciana through project GVA-ACOMP-2013-012, and by the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (UPV2011-0966 and UPV2011-0914). E.P.-G., J.L.-S., A.M., and P.R.-H. acknowledge computing time provided by Red Espanola de Super-computacion (RES) and MALTA-Cluster. | en_EN |
dc.language | Inglés | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation.ispartof | Journal of Physical Chemistry C | es_ES |
dc.rights | Reserva de todos los derechos | es_ES |
dc.subject | Induced phase-transitions | es_ES |
dc.subject | X-Ray Diffraction | es_ES |
dc.subject | Initio molecular-dynamics | es_ES |
dc.subject | Raman scattering | es_ES |
dc.subject | Hydrostatic pressure | es_ES |
dc.subject | Ab initio | es_ES |
dc.subject | Optical properties | es_ES |
dc.subject | single crystals | es_ES |
dc.subject | Phonon modes | es_ES |
dc.subject | Semiconductors | es_ES |
dc.subject.classification | FISICA APLICADA | es_ES |
dc.title | Lattice dynamics study of HgGa2Se4 at high pressures | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1021/jp402493r | |
dc.relation.projectID | info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ | |
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/MICINN//MAT2010-21270-C04-01/ES/SINTESIS Y CARACTERIZACION OPTICA, ELECTRONICA, ESTRUCTURAL Y VIBRACIONAL DE NUEVOS MATERIALES BAJO CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/UPV//UPV2011-0914/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/UPV//PAID-06-11-0966/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/GVA//ACOMP%2F2013%2F012/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-04/ES/CRECIMIENTO Y CARACTERIZACION DE NANOESTRUCTURAS DE OXIDOS METALICOS BAJO ALTAS PRESIONES/ | 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. 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. 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.; Gomis Hilario, O.; Manjón Herrera, FJ.; Ortiz, HM.; Pérez González, E.; López Solano, J.; Rodríguez Hernández, P.... (2013). Lattice dynamics study of HgGa2Se4 at high pressures. Journal of Physical Chemistry C. 117(30):15773-15781. https://doi.org/10.1021/jp402493r | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | http://pubs.acs.org/doi/abs/10.1021/jp402493r | es_ES |
dc.description.upvformatpinicio | 15773 | es_ES |
dc.description.upvformatpfin | 15781 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 117 | es_ES |
dc.description.issue | 30 | es_ES |
dc.relation.senia | 246110 | |
dc.contributor.funder | Ministerio de Educación y Ciencia | |
dc.contributor.funder | Universitat Politècnica de València | |
dc.contributor.funder | Generalitat Valenciana | |
dc.contributor.funder | Ministerio de Ciencia e Innovación | es_ES |