Magnetic properties of coordination clusters with {Mn4} and {Co4} antiferromagnetic cores
Achilli, Simona (Universitá degli Studi di Milano. Dipartimento di Fisica "Aldo Pontremoli")
Besson, Claire (The George Washington University. Department of Chemistry)
He, Xu (Institut Català de Nanociència i Nanotecnologia)
Ordejon, Pablo (Institut Català de Nanociència i Nanotecnologia)
Meyer, Carola (Universität Osnabrück. Department of Physics)
Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia)

Date:	2022
Abstract:	We present a joint experimental and theoretical characterization of the magnetic properties of coordination clusters with an antiferromagnetic core of four magnetic ions. Two different compounds are analyzed, with Co and Mn ions in the core. While both molecules are antiferromagnetic, they display different sensitivities to external magnetic field, according to the different atomic magnetic moments and strength of the intra-molecular magnetic couplings. In particular, the dependence of the magnetization versus field of the two molecules switches with temperature: at low temperature the magnetization is smaller in {Mn4} than in Co4, while the opposite happens at high temperature. Through a detailed analysis of the electronic and magnetic properties of the two compounds we identify a stronger magnetic interaction between the magnetic ions in {Mn4} with respect to {Co4}. Moreover {Co4} displays not negligible spin-orbit related effects that could affect the spin lifetime in future antiferromagnetic spintronic applications. We highlight the necessity to account for these spin-orbit effects together with electronic correlation effects for a reliable description of these compounds.
Grants:	European Commission 824143 European Commission 814487 European Commission 654360 Agencia Estatal de Investigación PGC2018-096955-B-C43 Agencia Estatal de Investigación SEV-2017-0706 Ministerio de Economía y Competitividad RYC-2016-19344 Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-1506
Note:	Altres ajuts: Computational resources in MareNostrum4 at the Barcelona Supercomputing Center were provided by the Red Española de Supercomputacion (Grants FI-2019-2-0038 and FI-2020-1-0022) and PRACE (grant OptoSpin, project id. 2020225411).
Rights:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original.
Language:	Anglès
Document:	Article ; recerca ; Versió publicada
Subject:	Antiferromagnetic core ; Atomic magnetic moment ; Co ions ; Coordination clusters ; External magnetic field ; Lows-temperatures ; Magnetic ions ; Magnetic strength ; Mn ions ; Molecule switches
Published in:	Physical chemistry chemical physics, Vol. 24, issue 6 (Feb. 2022) , p. 3780-3787, ISSN 1463-9076

DOI: 10.1039/d1cp03904k

8 p, 2.7 MB

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Research literature > UAB research groups literature > Research Centres and Groups (research output) > Experimental sciences > Catalan Institute of Nanoscience and Nanotechnology (ICN2)
Articles > Research articles
Articles > Published articles