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Field-induced internal Fe and Ln spin reorientation in butterfly {Fe3LnO2} (Ln = Dy and Gd) single-molecule magnets

AutorBadía-Romano, L.; Bartolomé, Fernando; Bartolomé, Juan; Luzón, Javier; Prodius, D.; Turta, C.; Mereacre, V.; Wilhelm, F.; Rogalev, A.
Fecha de publicación2013
EditorAmerican Physical Society
CitaciónPhysical Review B 87: 184403 (2013)
ResumenThe intramolecular exchange interactions within the single-molecule magnet (SMM) "butterfly" molecule [Fe3Ln(μ3-O) 2(CCl3COO)8(H2O)(THF)3], where Ln(III) represents a lanthanide cation, are determined in a combined experimental [x-ray magnetic circular dichroism (XMCD) and vibrating sample magnetometer (VSM)] and theoretical work. Compounds with Ln=Gd and Dy, which represent extreme cases where the rare earth presents single-ion isotropic and uniaxial anisotropy, on one hand, and with Ln=Lu and Y(III) as pseudolanthanide substitutions that supply a nonmagnetic Ln reference case, on the other hand, are studied. The Dy single-ion uniaxial anisotropy is estimated from ab initio calculations. Low-temperature (T 2.5 K) hard x-ray XMCD at the Ln L 2,3 edges and VSM measurements as a function of the field indicate that the Ln moment dominates the polarization of the molecule by the applied field. Within the {Fe3LnO2} cluster the Ln-Fe3 subcluster interaction is determined to be antiferromagnetic in both Dy and Gd compounds, with values J Dy-Fe3=-0.4 K and J Gd-Fe3=-0.25 K, by fitting to spin Hamiltonian simulations that consider the competing effects of intracluster interactions and the external applied magnetic field. In the uniaxial anisotropic {Fe3DyO2} case, a field-induced reorientation of the Fe3 and Dy spins from an antiparallel to a parallel orientation takes place at a threshold field (μ0H=4 T). In contrast, in isotropic {Fe3GdO2} this reorientation does not occur. © 2013 American Physical Society.
DescripciónUnder the terms of the Creative Commons Attribution License 3.0 (CC-BY).
Versión del editorhttp://dx.doi.org/10.1103/PhysRevB.87.184403
Identificadoresdoi: 10.1103/PhysRevB.87.184403
issn: 1098-0121
e-issn: 1550-235X
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