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Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure

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Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure

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dc.contributor.author Gomis, O. es_ES
dc.contributor.author Vilaplana Cerda, Rosario Isabel es_ES
dc.contributor.author Pérez-González, E. es_ES
dc.contributor.author Ruiz-Fuertes, J. es_ES
dc.contributor.author Rodríguez-Hernández, P. es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Errandonea, D. es_ES
dc.contributor.author Segura. A. es_ES
dc.contributor.author Santamaría-Pérez, D. es_ES
dc.contributor.author Alonso-Gutiérrez, P. es_ES
dc.contributor.author Sanjuan, M.L. es_ES
dc.contributor.author Tiginyanu, I.M. es_ES
dc.contributor.author Ursaki, V.V. es_ES
dc.contributor.author Manjón, Francisco-Javier es_ES
dc.date.accessioned 2024-05-16T18:08:28Z
dc.date.available 2024-05-16T18:08:28Z
dc.date.issued 2023-04-05 es_ES
dc.identifier.issn 0925-8388 es_ES
dc.identifier.uri http://hdl.handle.net/10251/204205
dc.description.abstract [EN] Optical absorption measurements at high pressure have been performed in two phases of the ordered -vacancy compound (OVC) ZnGa2Se4: defect stannite (DS) and defect chalcopyrite (DC). The direct bandgap energy of both phases exhibits a non-linear pressure dependence with a blueshift up to 10 GPa and a redshift at higher pressures. We discuss the different behavior of both phases in these two pressure ranges in relation to the pressure-induced order-disorder processes taking place at cation sites. Measurements performed in both phases on downstroke after increasing pressure to 22 GPa show that the direct bandgap energy of the recovered samples at room pressure was 0.35 eV smaller than that of the original samples. These results evidence that different disordered phases are formed on decreasing pressure, depending on the cation disorder already present in the original samples. In particular, we attribute the recovered samples from the original DC and DS phases to disordered CuAu (DCA) and disordered zincblende (DZ) phases, respectively. The decrease of the direct bandgap energy and its pressure coefficient on increasing disorder in the four measured phases are explained. In summary, this combined experimental and theoretical work on two phases (DC and DS) of the same compound has allowed us to show that the optical properties of both phases show a similar behavior under compression because irreversible pressure-induced order-disorder processes occur in all adamantine OVCs irrespective of the initial crystalline structure. es_ES
dc.description.sponsorship This study was supported by project MALTA Consolider Team network (RED2018-102612-T), financed by MINECO/AEI/10.13039/501100003329, I+D+i project PID2019-106383 GB-41/42/43 financed by MCIN/AEI/10.13039/501100011033 and project PID2021-125518NB-I00; as well as projects PROMETEO/2018/123 (EFIMAT) and CIPROM/2021/075 (GREENMAT) financed by Generalitat Valenciana. This study forms part of the Advanced Materials programme and was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat Valenciana under grant MFA/2022/007. P. R-H., E. P-G., and A. M. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. es_ES
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Journal of Alloys and Compounds es_ES
dc.rights Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) es_ES
dc.subject Semiconductors es_ES
dc.subject Optical properties es_ES
dc.subject Computer simulations es_ES
dc.subject High-pressure es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.jallcom.2023.168733 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C41/ES/OXIDOS Y METALES BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C42/ES/SESQUIOXIDOS Y COMPUESTOS METAVALENTES BAJO CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C43/ES/SIMULACIONES AB INITIO DE MATERIALES AVANZADOS BAJO CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-125518NB-I00/ES/ESTABILIDAD ESTRUCTURAL Y REACTIVIDAD DE FASES DENSAS DE CO2 Y CARBONATOS A ALTA TEMPERATURA Y EN DISTINTOS ENTORNOS QUIMICOS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI//RED2018-102612-T//MALTA- CONSOLIDER TEAM/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/Generalitat Valenciana//GVPROMETEO2018-123//Materiales avanzados para el uso eficiente de la energia (EFIMAT)/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/Generalitat Valenciana//CIPROM%2F2021%2F075//Materiales avanzados para tecnologías verdes (GREENMAT)/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//PROMETEO%2F2018%2F123//Materiales avanzados para el uso eficiente de la energia (EFIMAT)/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//MFA%2F2022%2F007/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//PRTR-C17.I1/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Escuela Técnica Superior de Ingeniería del Diseño - Escola Tècnica Superior d'Enginyeria del Disseny es_ES
dc.contributor.affiliation Universitat Politècnica de València. Escuela Politécnica Superior de Alcoy - Escola Politècnica Superior d'Alcoi es_ES
dc.description.bibliographicCitation Gomis, O.; Vilaplana Cerda, RI.; Pérez-González, E.; Ruiz-Fuertes, J.; Rodríguez-Hernández, P.; Muñoz, A.; Errandonea, D.... (2023). Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure. Journal of Alloys and Compounds. 939:1-12. https://doi.org/10.1016/j.jallcom.2023.168733 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1016/j.jallcom.2023.168733 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 939 es_ES
dc.relation.pasarela S\483198 es_ES
dc.contributor.funder Generalitat Valenciana es_ES
dc.contributor.funder AGENCIA ESTATAL DE INVESTIGACION es_ES
dc.contributor.funder Agencia Estatal de Investigación es_ES
dc.contributor.funder Red Española de Supercomputación es_ES
dc.contributor.funder Ministerio de Ciencia e Innovación es_ES
dc.contributor.funder Universitat Politècnica de València es_ES


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