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Vibrational study of HgGa2S4 under high pressure

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Vibrational study of HgGa2S4 under high pressure

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dc.contributor.author Vilaplana Cerda, Rosario Isabel es_ES
dc.contributor.author Robledillo, M. es_ES
dc.contributor.author Gomis Hilario, Oscar es_ES
dc.contributor.author Sans, J.A. es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author Pérez-González, E. es_ES
dc.contributor.author Rodríguez-Hernández, P. es_ES
dc.contributor.author Muñoz, Alfonso es_ES
dc.contributor.author Tiginyanu, Ivan es_ES
dc.contributor.author Ursaki, Veacheslav es_ES
dc.date.accessioned 2014-02-21T12:41:42Z
dc.date.available 2014-02-21T12:41:42Z
dc.date.issued 2013-03-07
dc.identifier.issn 0021-8979
dc.identifier.uri http://hdl.handle.net/10251/35873
dc.description.abstract In this work, we report on high-pressure Raman scattering measurements in mercury digallium sulfide (HgGa2S4) with defect chalcopyrite structure that have been complemented with lattice dynamics ab initio calculations. Our measurements evidence that this semiconductor exhibits a pressure-induced phase transition from the completely ordered defect chalcopyrite structure to a partially disordered defect stannite structure above 18 GPa which is prior to the transition to the completely disordered rocksalt phase above 23 GPa. Furthermore, a completely disordered zincblende phase is observed below 5 GPa after decreasing pressure from 25 GPa. The disordered zincblende phase undergoes a reversible pressure-induced phase transition to the disordered rocksalt phase above 18 GPa. The sequence of phase transitions here reported for HgGa2S4 evidence the existence of an intermediate phase with partial cation-vacancy disorder between the ordered defect chalcopyrite and the disordered rocksalt phases and the irreversibility of the pressure-induced order-disorder processes occurring in ordered-vacancy compounds. The pressure dependence of the Raman modes of all phases, except the Raman-inactive disordered rocksalt phase, have been measured and discussed. es_ES
dc.description.sponsorship This study was supported by the Spanish government MEC under Grant No: MAT2010-21270-C04-01/03/04, by MALTA Consolider Ingenio 2010 project (CSD2007-00045), and by the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11). E. P.-G., P. R.-H., and A. M. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. J.A.S. acknowledges Juan de la Cierva fellowship program for his financial support. en_EN
dc.language Inglés es_ES
dc.publisher American Institute of Physics (AIP) es_ES
dc.relation.ispartof Journal of Applied Physics es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Ab initio calculations es_ES
dc.subject chalcogenide glasses es_ES
dc.subject gallium compounds es_ES
dc.subject high pressure es_ES
dc.subject solid state phase transformations es_ES
dc.subject mercury compounds es_ES
dc.subject raman spectra es_ES
dc.subject ternary semiconductors es_ES
dc.subject vibrational modes es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Vibrational study of HgGa2S4 under high pressure es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1063/1.4794096
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-04/ES/CRECIMIENTO Y CARACTERIZACION DE NANOESTRUCTURAS DE OXIDOS METALICOS BAJO ALTAS PRESIONES/
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/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/
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 PAID-05-11/
dc.relation.projectID info:eu-repo/grantAgreement/UPV//UPV2011-0966 PAID-06-11/
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 Vilaplana Cerda, RI.; Robledillo, M.; Gomis Hilario, O.; Sans, J.; Manjón Herrera, FJ.; Pérez-González, E.; Rodríguez-Hernández, P.... (2013). Vibrational study of HgGa2S4 under high pressure. Journal of Applied Physics. 113(9):935121-9351210. https://doi.org/10.1063/1.4794096 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1063/1.4794096 es_ES
dc.description.upvformatpinicio 935121 es_ES
dc.description.upvformatpfin 9351210 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 113 es_ES
dc.description.issue 9 es_ES
dc.relation.senia 234558
dc.identifier.eissn 1089-7550
dc.contributor.funder Ministerio de Ciencia e Innovación
dc.contributor.funder Universitat Politècnica de València
dc.contributor.funder Ministerio de Educación y Ciencia es_ES
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