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Vibrational properties of CdGa2S4 at high pressure

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Vibrational properties of CdGa2S4 at high pressure

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dc.contributor.author Gallego-Parra, Samuel es_ES
dc.contributor.author Gomis, O. es_ES
dc.contributor.author Vilaplana Cerda, Rosario Isabel es_ES
dc.contributor.author Ortiz, H.M. es_ES
dc.contributor.author Perez-Gonzalez, E. es_ES
dc.contributor.author Luna Molina, Ramón es_ES
dc.contributor.author Rodríguez-Hernández, Plácida es_ES
dc.contributor.author MUÑOZ, ALFONSO es_ES
dc.contributor.author URSAKI, VEACHESLAV es_ES
dc.contributor.author TIGINYANU, IVAN es_ES
dc.contributor.author Manjón, Francisco-Javier es_ES
dc.date.accessioned 2020-11-18T04:31:30Z
dc.date.available 2020-11-18T04:31:30Z
dc.date.issued 2019-03-21 es_ES
dc.identifier.issn 0021-8979 es_ES
dc.identifier.uri http://hdl.handle.net/10251/155240
dc.description.abstract [EN] Raman scattering measurements have been performed in cadmium digallium sulphide (CdGa2S4) with defect chalcopyrite structure up to 25 GPa in order to study its pressure-induced phase transitions. These measurements have been complemented and compared with latticedynamics ab initio calculations including the TO-LO splitting at high pressures in order to provide a better assignment of experimental Raman modes. In addition, experimental and theoretical Gruneisen parameters have been reported in order to calculate the molar heat capacity and thermal expansion coefficient of CdGa2S4. Our measurements provide evidence that CdGa2S4 undergoes an irreversible phase transition above 15 GPa to a Raman-inactive phase, likely with a disordered rock salt structure. Moreover, the Raman spectrum observed on downstroke from 25 GPa to 2 GPa has been attributed to a new phase, tentatively identified as a disordered zinc blende structure, that undergoes a reversible phase transition to the Raman-inactive phase above 10 GPa. Published under license by AIP Publishing. es_ES
dc.description.sponsorship The authors thank the financial support of the Spanish Ministerio de Economia y Competitividad (MINECO) under Grant Nos. MAT2016-75586-C4-2/3-P and MAT2015-71070-REDC (MALTA Consolider) and the Generalitat Valenciana under Project No. PROMETEO/2018/123-EFIMAT. E. P.-G., A. M., and P. R.-H. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. es_ES
dc.language Inglés es_ES
dc.publisher American Institute of Physics es_ES
dc.relation.ispartof Journal of Applied Physics es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Thermal-Expansion coefficients es_ES
dc.subject Induced phase-transitions es_ES
dc.subject Raman-Scattering es_ES
dc.subject Ab-Initio es_ES
dc.subject Gruneisen-Parameter es_ES
dc.subject Lattice-Dynamics es_ES
dc.subject Chalcopyrite compounds es_ES
dc.subject Temperature-Variation es_ES
dc.subject Optical-Properties es_ES
dc.subject Phonon-Dispersion es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Vibrational properties of CdGa2S4 at high pressure es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1063/1.5080503 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-3-P/ES/ESTUDIO AB INITIO DE COMPUESTOS ABX4, ABO3, A2X3, PEROVSKITAS Y NANOMATERIALES BAJO CONDICIONES EXTREMAS/ 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.relation.projectID info:eu-repo/grantAgreement/GVA//PROMETEO%2F2018%2F123/ES/Materiales avanzados para el uso eficiente de la energia (EFIMAT)/ 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 Gallego-Parra, S.; Gomis, O.; Vilaplana Cerda, RI.; Ortiz, H.; Perez-Gonzalez, E.; Luna Molina, R.; Rodríguez-Hernández, P.... (2019). Vibrational properties of CdGa2S4 at high pressure. Journal of Applied Physics. 125(11):1-12. https://doi.org/10.1063/1.5080503 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1063/1.5080503 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 125 es_ES
dc.description.issue 11 es_ES
dc.relation.pasarela S\389556 es_ES
dc.contributor.funder Generalitat Valenciana es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
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