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Layered topological semimetal GaGeTe: New polytype with non-centrosymmetric structure

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Layered topological semimetal GaGeTe: New polytype with non-centrosymmetric structure

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dc.contributor.author Gallego-Parra, Samuel es_ES
dc.contributor.author Bandiello, Enrico es_ES
dc.contributor.author Liang, A. es_ES
dc.contributor.author Da Silva, E. Lora es_ES
dc.contributor.author Rodriguez-Hernandez, P. es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Radescu, S. es_ES
dc.contributor.author Romero, A.H. es_ES
dc.contributor.author Drasar, C. es_ES
dc.contributor.author Errandonea, D. es_ES
dc.contributor.author Manjón, Francisco-Javier es_ES
dc.date.accessioned 2023-10-05T18:01:51Z
dc.date.available 2023-10-05T18:01:51Z
dc.date.issued 2022-12 es_ES
dc.identifier.uri http://hdl.handle.net/10251/197774
dc.description.abstract [EN] GaGeTe is a layered van der Waals material composed of germanene and GaTe sublayers that has been recently predicted to be a basic Z2 topological semimetal. To date, only one polytype of GaGeTe is known with trigonal centrosymmetric structure (a phase, space group R-3m, No. 166). Here we show that asgrown samples of GaGeTe show traces of at least another polytype with hexagonal noncentrosymmetric structure (f3 phase, space group P63mc, No. 186). Moreover, we suggest that another bulk hexagonal polytype (g phase, space group P-3m1, No. 164) could also be found near room conditions. Both a and f3 polytypes have been identified and characterized by means of X-ray diffraction and Raman scattering measurements with the support of ab initio calculations. We provide the vibrational properties of both polytypes and show that the Raman spectrum reported for GaGeTe almost forty years ago and attributed to the a phase, was, in fact, that of the secondary f3 phase. Additionally, we show that a Fermi resonance occurs in a-GaGeTe under non-resonant excitation conditions, but not under resonant excitation conditions. Theoretical calculations show that bulk f3-GaGeTe is a non-centrosymmetric weak topological semimetal with even smaller lattice thermal conductivity than centrosymmetric bulk aGaGeTe. In perspective, our work paves the way for the control and engineering of GaGeTe polytypes to design and implement complex van der Waals heterostructures formed by a combination of centrosymmetric and non-centrosymmetric layers of up to three different polytypes in a single material, suitable for a number of fundamental studies and technological applications. es_ES
dc.description.sponsorship This publication is part of the project MALTA Consolider Team network (RED2018-102612-T) , financed by MINECO/AEI/10.13039/501100003329; by I ? D ? i projects PID2019-106383 GB -41/42/43 financed by MCIN/AEI/10.13039/501100011033; and by project PROMETEO/2018/123 (EFIMAT) financed by Generalitat Valenciana. E.B. would like to thank the Universitat Politecnica de Valencia for his postdoctoral contract (Ref. PAID -10-21) . AHR was supported by the U.S. Department of Energy (DOE) , Office of Science, Basic Energy Sciences under award DE-SC0021375. We also acknowledge the computational resources awarded by XSEDE, a project supported by National Science Foundation grant number ACI-1053575. The authors also acknowledge the support from the Texas Advances Computer Center (with the Stampede2 and Bridges supercom- puters) . E.L.d.S would like to acknowledge the Network of Extreme Conditions Laboratories (NECL) , financed by FCT and co -financed by NORTE 2020, through the program Portugal 2020 and FEDER; the High Performance Computing Chair-a R & D infrastructure (based at the University of ? Evora; PI: M. Avillez) ; and for the computational support provided by the HPC center OBLIVION -U. ? Evora to perform the lattice thermal conductivity calculations. A.L. and D.E. would like to thank the Generalitat Valenciana for the Ph.D. Fellowship no. GRISOLIAP/2019/025. 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 Topological semimetal es_ES
dc.subject Non-inversion symmetry es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Layered topological semimetal GaGeTe: New polytype with non-centrosymmetric structure es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.mtadv.2022.100309 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//RED2018-102612-T//MALTA- CONSOLIDER TEAM/ 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/UPV-VIN//PAID-01-21// Metales Incipientes a Alta Presión (MINAP)/ 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/Generalitat Valenciana//GVPROMETEO2018-123//Materiales avanzados para el uso eficiente de la energia (EFIMAT)/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/NSF//ACI-1053575/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UPV//PAID-10-21/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/DOE//DE-SC0021375/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/FCT//NORTE 2020/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//GRISOLIAP%2F2019%2F025/ 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. 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.; Bandiello, E.; Liang, A.; Da Silva, EL.; Rodriguez-Hernandez, P.; Muñoz, A.; Radescu, S.... (2022). Layered topological semimetal GaGeTe: New polytype with non-centrosymmetric structure. Materials Today Advances. 16:1-16. https://doi.org/10.1016/j.mtadv.2022.100309 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1016/j.mtadv.2022.100309 es_ES
dc.description.upvformatpinicio 1 es_ES
dc.description.upvformatpfin 16 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 16 es_ES
dc.identifier.eissn 2590-0498 es_ES
dc.relation.pasarela S\483259 es_ES
dc.contributor.funder Generalitat Valenciana es_ES
dc.contributor.funder U.S. Department of Energy es_ES
dc.contributor.funder AGENCIA ESTATAL DE INVESTIGACION es_ES
dc.contributor.funder Agencia Estatal de Investigación es_ES
dc.contributor.funder National Science Foundation, EEUU es_ES
dc.contributor.funder European Regional Development Fund es_ES
dc.contributor.funder UNIVERSIDAD POLITECNICA DE VALENCIA es_ES
dc.contributor.funder Universitat Politècnica de València es_ES
dc.contributor.funder Fundação para a Ciência e a Tecnologia, Portugal es_ES
upv.costeAPC 3000 es_ES


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