Unveiling the electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity

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 (C...

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Bibliographic Details
Published inCommunications physics Vol. 7; no. 1; pp. 158 - 6
Main Authors Gastearena, Xuban, Ugalde, Jesus M., Pieslinger, German E., San Sebastian, Eider, Jimenez-Izal, Elisa
Format Journal Article
LanguageEnglish
Published London Nature Publishing Group 17.05.2024
Nature Portfolio
Subjects
Asymmetry
Conduction bands
Dysprosium
Electrical resistivity
Electron spin
Electron states
Electronic structure
Electrons
Fermi level
Filtration
Hydroxyl groups
Ligands
Metal-organic frameworks
Polarization (spin alignment)
Room temperature
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Summary: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.
ISSN:2399-3650
2399-3650
DOI:10.1038/s42005-024-01651-4