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dc.contributor.author | Bandiello, Enrico![]() |
es_ES |
dc.contributor.author | Gallego-Parra, Samuel![]() |
es_ES |
dc.contributor.author | Liang, A.![]() |
es_ES |
dc.contributor.author | Sans-Tresserras, Juan Ángel![]() |
es_ES |
dc.contributor.author | Cuenca-Gotor, Vanesa Paula![]() |
es_ES |
dc.contributor.author | Lora da Silva, E.![]() |
es_ES |
dc.contributor.author | Vilaplana Cerda, Rosario Isabel![]() |
es_ES |
dc.contributor.author | Rodríguez-Hernández, P.![]() |
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dc.contributor.author | Muñoz, A.![]() |
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dc.contributor.author | Diaz-Anichtchenko, D.![]() |
es_ES |
dc.contributor.author | Popescu, C.![]() |
es_ES |
dc.contributor.author | Alabarse, F.G.![]() |
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dc.contributor.author | Rudamas, C.![]() |
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dc.contributor.author | Drasar, C.![]() |
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dc.contributor.author | Segura, A.![]() |
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dc.contributor.author | Manjón, Francisco-Javier![]() |
es_ES |
dc.date.accessioned | 2024-06-21T18:05:02Z | |
dc.date.available | 2024-06-21T18:05:02Z | |
dc.date.issued | 2023-08 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/205372 | |
dc.description.abstract | [EN] GaGeTe is a layered topological semimetal that has been recently found to exist in at least two different polytypes, a-GaGeTe (R3m) and b-GaGeTe (P63mc). Here we report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of these two polytypes in high-pressure conditions. Both polytypes show anisotropic compressibility and two phase transitions, above 7 and 15 GPa, respectively, as confirmed by XRD and Raman spectroscopy measurements. Although the nature of the high-pressure phases could not be confirmed, comparison with other chalcogenides and total -energy calculations allow us to propose possible high-pressure phases for both polytypes with an in-crease in coordination for Ga and Ge atoms from 4 to 6. In particular, the simplification of the X-ray pattern for both polytypes above 15 GPa suggests a transition to a structure of relatively higher symmetry than the original one. This result is consistent with the rocksalt-like high-pressure phases observed in parent III-VI semiconductors, such as GaTe, GaSe, and InSe. Pressure-induced amorphization is observed upon pressure release. The electronic band structures of a-GaGeTe and b-GaGeTe and their pressure dependence also show similarities to III-VI semiconductors, thus suggesting that the germanene-like sublayer induces a semimetallic character in both GaGeTe polytypes. Above 3 GPa, both polytypes lose their topological features, due to the opening of the direct band gap, while the reduction of the interlayer space increases the thermal conductivity at high pressure. & COPY; 2023 The Author(s). Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). | es_ES |
dc.description.sponsorship | This publication is part of the project MALTA Consolider Team Network (RED2022-134388-T) , financed by MINECO/AEI/10.13039/501100003329; by I+D+i projects PID2019-106383GB-41/42/43, FIS2017-83295-P and PID2021-125927NB-C2 financed by MCIN/AEI/10.13039/501100011033; and by project PROMETEO CIPROM/2021/075 (GREENMAT) , financed by Generalitat Valenciana. This study forms part of the Advanced Materials program and is supported by MCIN with funding from European UnionNextGeneration EU (PRTR-C17.I1) and by Generalitat Valenciana through projects MFA/2022/007 and MFA/2022/025 (ARCANGEL) . J.A.S. acknowledges the Ramon y Cajal fellowship (RYC-2015-17482) for financial support. E.B. acknowledges the Universitat Politecnica de Valencia for his postdoctoral contract (program PAID-10-21) . We thank V. Monteseguro (Universidad de Cantabria) and Dr. H. Osman (Universidad de Valencia) for the fruitful discussions on the subject. Authors thank the ALBA Synchrotron for the XRD experiments performed at the MSPD beamline with the collaboration of ALBA staff (proposals No. 2015021222 and 2020074395) as well as the Elettra Sincrotrone Trieste for XRD experiments performed at the XPRESS beamline (proposal 20215005, in-house experiment) . Finally, the authors acknowledge the computing time provided by MALTA Cluster and Red Espanola de Supercomputacion (RES) . E.Ld.S. acknowledges the High Performance Computing Chair-a R & amp;D infrastructure (based at the University of ?Evora; PI: M. Avillez) ,endorsed by Hewlett Packard Enterprise, and involving a con-sortium of higher education institutions, research centers, enter-prises, and public/private organizations; and the Portuguese Foundation of Science and Technology for the financial support with the CEEC individual fellowship 5th edition, Reference 2022.00082.CEECIND. | es_ES |
dc.language | Inglés | es_ES |
dc.publisher | Elsevier | es_ES |
dc.relation.ispartof | Materials Today Advances | es_ES |
dc.rights | Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) | es_ES |
dc.subject | GaGeTe | es_ES |
dc.subject | High pressure | es_ES |
dc.subject | Structural properties | es_ES |
dc.subject | Vibrational properties | es_ES |
dc.subject | Electronic properties | es_ES |
dc.subject | Raman scattering | es_ES |
dc.subject | X-ray diffraction | es_ES |
dc.subject.classification | FISICA APLICADA | es_ES |
dc.title | Structural, vibrational, and electronic behavior of two GaGeTe polytypes under compression | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1016/j.mtadv.2023.100403 | 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/PID2021-125927NB-C21/ES/EFECTO DE LA DISTORSION ESTRUCTURAL EN DOBLES PEROVSKITAS DE HIERRO BAJO CONDICIONES EXTREMAS/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI//RED2022-134388-T//MALTA Consolider Team/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI//FIS2017-83295-P-AR//EN BUSCA DE LA REACCION DEL HELIO EN CONDICIONES EXTREMAS/ | 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/GV INNOV.UNI.CIENCIA//MFA%2F2022%2F025//Actividades en grafeno, materiales 2D y materiales con funcionalidades inteligentes para el desarrollo tecnológico/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/UPV-VIN//PAID-06-22//Estudio de la transición de espín del hierro en dobles perovskitas bajo condiciones extremas./ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/UPV//PAID-10-21/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/GVA//MFA%2F2022%2F007/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//RYC-2015-17482//RYC-2015-17482/ | 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.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 | Bandiello, E.; Gallego-Parra, S.; Liang, A.; Sans-Tresserras, JÁ.; Cuenca-Gotor, VP.; Lora Da Silva, E.; Vilaplana Cerda, RI.... (2023). Structural, vibrational, and electronic behavior of two GaGeTe polytypes under compression. Materials Today Advances. 19. https://doi.org/10.1016/j.mtadv.2023.100403 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | https://doi.org/10.1016/j.mtadv.2023.100403 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 19 | es_ES |
dc.identifier.eissn | 2590-0498 | es_ES |
dc.relation.pasarela | S\500510 | 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 | Ministerio de Ciencia e Innovación | es_ES |
dc.contributor.funder | UNIVERSIDAD POLITECNICA DE VALENCIA | es_ES |
dc.contributor.funder | Universitat Politècnica de València | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad | es_ES |