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Electrically Switchable Magnetic Molecules: Inducing a Magnetic Coupling by Means of an External Electric Field in a Mixed‐Valence Polyoxovanadate Cluster
Authors:Dr Salvador Cardona‐Serra  Dr Juan M Clemente‐Juan  Prof Eugenio Coronado  Dr Alejandro Gaita‐Ariño  Dr Nicolas Suaud  Dr Ondrej Svoboda  Dr Roland Bastardis  Prof Nathalie Guihéry  Dr Juan J Palacios
Affiliation:1. Instituto de?Ciencia Molecular (ICMol), Universidad de?Valencia, C/Catedrático José Beltrán N° 2, 46980 Paterna (Spain);2. Laboratoire de?Chimie et Physique Quantiques, IRSAMC, Université de?Toulouse, UPS, 31062 Toulouse (France), CNRS, UMR 5626, 31062 Toulouse (France);3. Laboratoire procédés, matériaux et énergie solaire Université de?Perpignan, 66100 Perpignan (France);4. Departamento de?Física?de?la?Materia Condensada, Campus de?Cantoblanco. Facultad de?Ciencias, Universidad Autónoma de?Madrid, 28049 Madrid (Spain)
Abstract:Herein we evaluate the influence of an electric field on the coupling of two delocalized electrons in the mixed‐valence polyoxometalate (POM) GeV14O40]8? (in short V14) by using both a t‐J model Hamiltonian and DFT calculations. In absence of an electric field the compound is paramagnetic, because the two electrons are localized on different parts of the POM. When an electric field is applied, an abrupt change of the magnetic coupling between the two delocalized electrons can be induced. Indeed, the field forces the two electrons to localize on nearest‐neighbors metal centers, leading to a very strong antiferromagnetic coupling. Both theoretical approaches have led to similar results, emphasizing that the sharp spin transition induced by the electric field in the V14 system is a robust phenomenon, intramolecular in nature, and barely influenced by small changes on the external structure.
Keywords:mixed valence  molecular magnetism  polyoxometalate  spintronics  switchable materials
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