Unveiling the electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity
dc.contributor.author | Gastearena, Xuban | |
dc.contributor.author | Ugalde Uribe-Etxebarria, Jesús | |
dc.contributor.author | Pieslinger, German E. | |
dc.contributor.author | San Sebastián Larzabal, Eider | |
dc.contributor.author | Jiménez Izal, Elisa | |
dc.date.accessioned | 2024-06-27T13:12:35Z | |
dc.date.available | 2024-06-27T13:12:35Z | |
dc.date.issued | 2024 | |
dc.identifier.citation | Communications Physics 7 : (2024) // Article ID 158 | es_ES |
dc.identifier.issn | 2399-3650 | |
dc.identifier.uri | http://hdl.handle.net/10810/68680 | |
dc.description.abstract | Recently, a three dimensional metal-organic framework (MOF) based on Dy(III) and the L-tartrate ligand was experimentally shown to exhibit a spin polarization (SP) power of 100% at room temperature. The material’s spin filtering ability was ascribed to the chiral-induced spin selectivity (CISS) effect. In this work, we computationally characterize the electronic structure of this MOF, revealing that the high SP of the material is linked to the asymmetric arrangement, around the Fermi level, of the alpha- and beta-spin electron states arising from the 4f-states of the lanthanide Dy atom, which results in two different conduction channels (band gaps) for each spin state. Based on the understanding gathered in this work, we propose that the substitution of the hydroxyl groups of the ligand by mercaptan groups should boost the electrical conductivity, while retaining the spin filtering power of the material | es_ES |
dc.description.sponsorship | This work was supported by Grant No. PID2020-114754GA-I00 was funded by MCIN/AEI/10.13039/501100011033, and funding was provided by Gobierno Vasco-Eusko Jaurlaritza (Grant No. IT588-22). The authors thank DIPC and SGI-IZO-SGIker (UPV/EHU) for the generous allocation of computational resources. The authors thankfully acknowledge also the computer resources at MareNostrum and the technical support provided by Barcelona Supercomputing Center (QHS-2022-3-0015). G.E.P. is a member of the scientific staff of CONICET. X.G. thanks his predoctoral grant from the Basque Government. The authors acknowledge funding from the IKUR Strategy under the collaboration agreement between the Ikerbasque Foundation and DIPC on behalf of the Department of Education of the Basque Government, Grant program to support agents of the Basque Science, Technology, and Innovation Network accredited in the category of Basic Research Centers and Excellence (BERC Program) from the Department of Universities and Research from the Basque Government. E.S.S. thanks the Red Guipuzcoana de Ciencia, Tecnología e Innovación (FA385/2023, DG23/16). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Nature | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/PID2020-114754GA-I00 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.title | Unveiling the electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | © The Author(s) 2024. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/. | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | https://www.nature.com/articles/s42005-024-01651-4 | es_ES |
dc.identifier.doi | 10.1038/s42005-024-01651-4 | |
dc.departamentoes | Polímeros y Materiales Avanzados: Física, Química y Tecnología | es_ES |
dc.departamentoes | Química aplicada | es_ES |
dc.departamentoeu | Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia | es_ES |
dc.departamentoeu | Kimika aplikatua | es_ES |
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