dc.contributor.author | Blanco Rey, María | |
dc.contributor.author | Sarasola Iñiguez, Ane | |
dc.contributor.author | Nistor, Corneliu | |
dc.contributor.author | Persichetti, Luca | |
dc.contributor.author | Stamm, Christian | |
dc.contributor.author | Piamonteze, Cinthia | |
dc.contributor.author | Gambardella, Pietro | |
dc.contributor.author | Stepanow, Sebastian | |
dc.contributor.author | Otrokov, Mikhail M. | |
dc.contributor.author | Golovach, Vitaly N. | |
dc.contributor.author | Arnau Pino, Andrés | |
dc.date.accessioned | 2019-03-11T12:51:27Z | |
dc.date.available | 2019-03-11T12:51:27Z | |
dc.date.issued | 2018-04 | |
dc.identifier.citation | Molecules 23(4) : (2018) // Article ID 964 | es_ES |
dc.identifier.issn | 1420-3049 | |
dc.identifier.uri | http://hdl.handle.net/10810/31964 | |
dc.description.abstract | The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOCNs) grown on a Au(111) metal surface are studied. In particular, we consider MOCNs made of Ni or Mn metal centers linked by 7,7,8,8-tetracyanoquinodimethane (TCNQ) organic ligands, which form rectangular networks with 1: 1 stoichiometry. Based on the analysis of X-ray magnetic circular dichroism (XMCD) data taken at T = 2.5 K, we find that Ni atoms in the Ni-TCNQ MOCNs are coupled ferromagnetically and do not show any significant magnetic anisotropy, while Mn atoms in the Mn-TCNQ MOCNs are coupled antiferromagnetically and do show a weak magnetic anisotropy with in-plane magnetization. We explain these observations using both a model Hamiltonian based on mean-field Weiss theory and density functional theory calculations that include spin-orbit coupling. Our main conclusion is that the antiferromagnetic coupling between Mn spins and the in-plane magnetization of the Mn spins can be explained by neglecting effects due to the presence of the Au(111) surface, while for Ni-TCNQ the metal surface plays a role in determining the absence of magnetic anisotropy in the system. | es_ES |
dc.description.sponsorship | We thank MINECO and the University of the Basque Country (UPV/EHU) for partial financial support, with grant numbers FIS2016-75862-P and IT-756-13, respectively, the former covering costs to publish in open access journals. MMO acknowledges the support by the Tomsk State University competitiveness improvement programme (project No. 8.1.01.2017) and the Saint Petersburg State University grant for scientific investigation (No. 15.61.202.2015). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | MDPI | es_ES |
dc.relation | info:eu-repo/grantAgreement/MINECO/FIS2016-75862-P | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.subject | magnetism | es_ES |
dc.subject | metal-organic network | es_ES |
dc.subject | X-ray magnetic circular dichroism (XMCD) | es_ES |
dc.subject | density functional theory | es_ES |
dc.subject | brillouin-zone integrations | es_ES |
dc.subject | total-energy calculations | es_ES |
dc.subject | wave basis-set | es_ES |
dc.subject | charge-transfer | es_ES |
dc.subject | magnetocrystalline anisotropy | es_ES |
dc.subject | microscopic origin | es_ES |
dc.subject | interface | es_ES |
dc.subject | monolayers | es_ES |
dc.subject | dichroism | es_ES |
dc.subject | systems | es_ES |
dc.title | Properties of Metal–Organic Coordination Networks Based on 3d Transition Metal Atoms | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0). | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | https://www.mdpi.com/1420-3049/23/4/964 | es_ES |
dc.identifier.doi | 10.3390/molecules23040964 | |
dc.departamentoes | Física aplicada I | es_ES |
dc.departamentoes | Física de materiales | es_ES |
dc.departamentoeu | Fisika aplikatua I | es_ES |
dc.departamentoeu | Materialen fisika | es_ES |