Search results for " Anisotropy"
showing 10 items of 295 documents
Comparative Study of the Compressibility of M3V2O8 (M = Cd, Zn, Mg, Ni) Orthovanadates
2022
We report herein a theoretical study of the high-pressure compressibility of Cd3V2O8, Zn3V2O8, Mg3V2O8, and Ni3V2O8. For Cd3V2O8, we also present a study of its structural stability. Computer simulations were performed by means of first-principles methods using the CRYSTAL program. In Cd3V2O8, we found a previously unreported polymorph which is thermodynamically more stable than the already known polymorph. We also determined the compressibility of all compounds and evaluated the different contributions of polyhedral units to compressibility. We found that the studied vanadates have an anisotropic response to compression and that the change in volume is basically determined by the compressi…
Molecular anisotropy analysis of single-ion magnets using an effective electrostatic model.
2014
Simple electrostatic models have been shown to successfully rationalize the magnetic properties of mononuclear single molecule magnets based on f-elements and even to predict the direction of the magnetic anisotropy axis in these nanomagnets. In this Article, we go a step forward by showing that these models, conveniently modified to account for the covalency effects, are able to predict not only the easy axis direction but also the three components of the magnetic anisotropy. Thus, by using a lone pair effective charge (LPEC) model we can fully reproduce the angular dependence of the magnetic susceptibility in single crystals of pentamethylcyclopentadienyl-Er-cyclooctatetraene single-ion m…
Structural characterization and magnetic property studies of a mixed-valence {CoIIICoII4} complex with a μ4-oxo tetrahedral {CoII4} motif
2020
We have synthesized and structurally characterized a new mixed valence pentanuclear Co complex, bearing a rare μ4-O-tetrahedral CoII4 unit, by employing a pyridine-like Schiff base ligand. We have performed DC magnetic susceptibility and magnetization measurements over polycrystalline samples and chemical quantum computations in order to understand the exchange interaction pattern within Co(II) sites and ground state magnetic anisotropy. This new complex shows an overall antiferromagnetic exchange interaction whose strength strongly depends on the local symmetry of Co(II) sites. Also, local ion magnetic anisotropy reveals a strongly axial behaviour with the lowest Kramers doublet (KD) at ea…
Variation of the ground spin state in homo- and hetero-octanuclear copper(II) and nickel(II) double-star complexes with a meso-helicate-type metallac…
2011
Homo- and heterometallic octanuclear complexes of formula Na₂{[Cu₂(mpba)₃][Cu(Me₅dien)]₆}-(ClO₄)₆·12H₂O (1), Na₂{[Cu₂(Mempba)₃][Cu(Me₅dien)]₆}(ClO₄)₆·12H₂O (2), Na₂{[Ni₂(mpba)₃]-[Cu(Me₅dien)]₆}(ClO₄)₆·12H₂O (3), Na₂{[Ni₂(Mempba)₃][Cu(Me₅dien)]₆}(ClO₄)₆·9H₂O (4), {[Ni₂(mpba)₃][Ni(dipn)(H₂O)]₆}(ClO₄)₄·12.5H₂O (5), and {[Ni₂(Mempba)₃][Ni(dipn)-(H₂O)]₆}(ClO₄)₄·12H₂O (6) [mpba = 1,3-phenylenebis(oxamate), Mempba = 4-methyl-1,3-phenylenebis(oxamate), Me₅dien = N,N,N',N'',N''-pentamethyldiethylenetriamine, and dipn = dipropylenetriamine] have been synthesized through the "complex-as-ligand/complex-as-metal" strategy. Single-crystal X-ray diffraction analyses of 1, 3, and 5 show cationic M(II)₂M'(I…
Experimental and numerical evaluation of sandwich composite structures
2004
The main problem working with sandwich composite structures is their intrinsic anisotropy and non-homogeneity that does not allow their correct modelling. Nowadays the available data on mechanical properties of complex structures, necessary to allow a correct and reliable design, are not sufficient. The aim of the present work is to extend the knowledge of mechanical properties both on single components and on complete structures, focusing on the effects induced by different kind of skin arrangements (Kevlar, glass and carbon fibres). Compressive, shear and flexural tests were performed for a complete static mechanical characterisation of the sandwich structure both on each single component…
Switching of easy-axis to easy-plane anisotropy in cobalt(ii) complexes
2021
A tetranuclear cubane-type complex [Co4(ntfa)4(CH3O)4(CH3OH)4] (1) with a {Co4O4} core, and a mononuclear complex [Co(ntfa)2(CH3OH)2] (2) have been rationally obtained by adjusting the ratio of the β-diketonate and Co(II) ions, with the synthetic processes being monitored by in situ microcalorimetry. Then, following synthetic conditions to obtain 2, but using three distinct N-donor coligands - 2,2'-bipyridyl (bpy), 6,6'-dimethyl-2,2'-bipyridyl (6,6-(CH3)2-bpy) and 5,5'-dimethyl-2,2'-bipyridyl (5,5-(CH3)2-bpy) - three novel mononuclear complexes have been obtained, [Co(ntfa)2(bpy)2] (3), [Co(ntfa)2(6,6-(CH3)2- bpy)2] (4) and [Co(ntfa)2(5,5-(CH3)2-bpy)2] (5). The introduction of different cap…
Charge transport through spin-polarized tunnel junction between two spin-split superconductors
2019
We investigate transport properties of junctions between two spin-split superconductors linked by a spin-polarized tunneling barrier. The spin-splitting fields in the superconductors (S) are induced by adjacent ferromagnetic insulating (FI) layers with arbitrary magnetization. The aim of this study is twofold: On the one hand, we present a theoretical framework based on the quasiclassical Green's functions to calculate the Josephson and quasiparticle current through the junctions in terms of the different parameters characterizing it. Our theory predicts qualitative new results for the tunneling differential conductance, $dI/dV$, when the spin-splitting fields of the two superconductors are…
Influence of the anisotropy of sisal fibers on the mechanical properties of high performance unidirectional biocomposite lamina and micromechanical m…
2021
Abstract High performance biocomposites reinforced by sisal fibers, are between the most promising materials that could be used in various fields, from automotive to civil constructions, thanks to their good mechanical performance, as well as to the low cost and the great availability of the fiber. Nevertheless, at present their practical use is prevented by the limited knowledge of their mechanical performance. The results of the present study have shown that the intimate fibrillar structure of the sisal fiber is associated with a high anisotropy involving not only the elastic parameters, but also the damage processes with typical fiber splitting phenomena, that influence noticeably the bi…
Custom coordination environments for lanthanoids: tripodal ligands achieve near-perfect octahedral coordination for two dysprosium-based molecular na…
2017
Controlling the coordination sphere of lanthanoid complexes is a challenging critical step toward controlling their relaxation properties. Here we present the synthesis of hexacoordinated dysprosium single-molecule magnets, where tripodal ligands achieve a near-perfect octahedral coordination. We perform a complete experimental and theoretical investigation of their magnetic properties, including a full single-crystal magnetic anisotropy analysis. The combination of electrostatic and crystal-field computational tools (SIMPRE and CONDON codes) allows us to explain the static behavior of these systems in detail. NRF-2015R1A2A1A10055658 Grant NRF-2012-0008901 NRF2010-0020209 ERC-CoG-647301 DEC…
Family of Isomeric CuII–LnIII (Ln = Gd, Tb, and Dy) Complexes Presenting Field-Induced Slow Relaxation of Magnetization Only for the Members Containi…
2020
The strategic design and synthesis of two isomeric CuII complexes, [CuLA] and [CuLB], of asymmetrically dicondensed N2O3-donor Schiff-base ligands (where H2LA and H2LB are N-salicylidene-N'-3-methoxysalicylidenepropane-1,2-diamine and N-3-methoxysalicylidene-N'-salicylidenepropane-1,2-diamine, respectively) have been accomplished via a convenient CuII template method. These two complexes have been used as metalloligands for the synthesis of three pairs of Cu-Ln isomeric complexes [CuL(μ-NO3)Ln(NO3)2(H2O)]·CH3CN (for complexes 1A-3A, L = LA, and for complexes 1B-3B, L = LB and Ln = Gd, Tb, and Dy, respectively), all of which have been characterized structurally. In all six isomorphous and is…