Orbital Magnetism in Transition-Metal Clusters: From Hund’s Rules to Bulk Quenching

Guirado-López, R. A.; Dorantes-Dávila, J.; Pastor, G.

doi:10.1103/physrevlett.90.226402

Cited by 106 publications

(109 citation statements)

References 13 publications

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“…Using spin-polarized discrete variational method, Fujima and Yamaguchi also studied the magnetic properties of Ni clusters. 11 The calculated magnetic moment was 0.58 B /atom for Ni 19 , agreeing well with Reddy et al and 0.73 B /atom for Ni 55 . In general, all calculations based upon first principles showed poor agreements by underestimating substantially the spin moment ͑Fig.…”

Section: Introductionsupporting

confidence: 88%

“…Using linear combination of atomic molecular-orbital approach within the density-functional formalism, Reuse et al 9 get a magnetic moment 0.62 B /atom for Ni 13 . Also, using the spinpolarized discrete variational X␣ method, Fujima and Yamaguchi obtained the magnetic moments 0.58 and 0.73 B /atom for Ni 19 and Ni 55 , respectively. 11 All these results are in good agreement with present ones, spin ϭ0.57, 0.68, and 0.66 B /atom for nϭ13, 19, and 55.…”

Section: A Size Dependence Of Spin Momentmentioning

confidence: 99%

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Orbital polarization, surface enhancement and quantum confinement in nanocluster magnetism

et al. 2004

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Within a rather general tight-binding framework, we studied the magnetic properties of Ni n clusters with nϭ9 -60. In addition to usual hopping, exchange, and spin-orbit coupling terms, our Hamiltonian also included orbital correlation and valence orbital shift of surface atoms. We show that orbital moment not only contributes appreciably to the total moment in this range of cluster size, but also dominates the oscillation of total moment with respect to the cluster size. Surface enhancement is found to occur not only for spin but, even stronger, also for orbital moment. The magnitude of this enhancement depends mainly on the coordination deficit of surface atoms, well described by a simple interpolation. For very small clusters (nр20), quantum confinement of 4s electrons has drastic effects on 3d electron occupation, and thus greatly influences both spin and orbital magnetic moments. With physically reasonable parameters to account for orbital correlation and surface valence orbital shift, our results are in good quantitative agreement with available experiments, evidencing the construction of a unified theoretical framework for nanocluster magnetism.

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Section: Introductionsupporting

confidence: 88%

Section: A Size Dependence Of Spin Momentmentioning

confidence: 99%

Orbital polarization, surface enhancement and quantum confinement in nanocluster magnetism

et al. 2004

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“…A reasonable linear variation of MAE with the anisotropy of the orbital momentum is found following the simple arguments from Bruno [8]. Ab initio calculations of clusters have also shown this trend [35]. Finally, notice the sharp decrease as a function of size concerning orbital momentum and MAE: a bi-atomic island behaves closer to an infinite monoatomic-wide wire than to a single atom, and bi-atomic wires are closer to a monolayer film than to a mono-atomic wire (Table 1).…”

Section: Surface Anisotropy In Nanostructuressupporting

confidence: 66%

Magnetism in reduced dimensions

Fruchart

Thiaville

2005

Comptes Rendus. Physique

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We propose a short overview of a few selected issues of magnetism in reduced dimensions, which are the most relevant to set the background for more specialized contributions to the present Special Issue. Magnetic anisotropy in reduced dimensions is discussed, on a theoretical basis, then with experimental reports and views from surface to single-atom anisotropy. Then conventional magnetization states are reviewed, including macrospins, single domains, multidomains, and domain walls in stripes. Dipolar coupling is examined for lateral interactions in arrays, and for interlayer interactions in films and dots. Finally thermally-assisted magnetization reversal and superparamagnetism are presented. For each topic we sought a balance between well established knowledge and recent developments.To cite this article: O. Fruchart, A. Thiaville, C. R. Physique X (y) (2005). RésuméNous proposons un panorama de quelques aspects du magnétisme en dimensions réduites, appropriés comme toile de fond pour les articles plus spécialisés de ce numéro spécial. L'anisotropie magnétique en dimensions réduites est discutée, sur le plan théorique, puis appuyée par des exemples, allant des surfaces aux atomes individuels. Les configurations d'aimantation les plus courantes sont ensuite décrites : macrospins, monodomaines, multidomaines, parois dans des bandes. Les couplages magnétiques, essentiellement dipolaires, sont décrit pour des réseaux et pour des bi-couches. Enfin nous présentons les effets de l'activation thermique, de la baisse de coercitivité jusqu'au superparamagnétisme. Pour chaque aspect nous avons recherché unéquilibre entre résultatsétablis et développements récents.Pour citer cet article : O. Fruchart, A. Thiaville, C. R. Physique X (y) (2005).

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“…In a similar way, surface enhanced orbital magnetic moments of µ L = 0.06 − 0.3 µ B have been calculated for iron, cobalt, and nickel surfaces and clusters 76,106,113 .…”

Section: B Magnetic Anisotropy Energy Of Transition Metal Clustersmentioning

confidence: 84%

Spin and orbital magnetic moments of size-selected iron, cobalt, and nickel clusters

et al. 2014

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Spin and orbital magnetic moments of cationic iron, cobalt, and nickel clusters have been determined from x-ray magnetic circular dichroism spectroscopy. In the size regime of n = 10 − 15 atoms, these clusters show strong ferromagnetism with maximized spin magnetic moments of 1 µB per empty 3d state because of completely filled 3d majority spin bands. The only exception is Fewhere an unusually low average spin magnetic moment of 0.73 ± 0.12 µB per unoccupied 3d state is detected; an effect, which is neither observed for Co + 13 nor Ni + 13 . This distinct behavior can be linked to the existence and accessibility of antiferromagnetic, paramagnetic, or nonmagnetic phases in the respective bulk phase diagrams of iron, cobalt, and nickel. Compared to the experimental data, available density functional theory calculations generally seem to underestimate the spin magnetic moments significantly. In all clusters investigated, the orbital magnetic moment is quenched to 5 − 25 % of the atomic value by the reduced symmetry of the crystal field. The magnetic anisotropy energy is well below 65 µeV per atom.

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Orbital Magnetism in Transition-Metal Clusters: From Hund’s Rules to Bulk Quenching

Cited by 106 publications

References 13 publications

Orbital polarization, surface enhancement and quantum confinement in nanocluster magnetism

Orbital polarization, surface enhancement and quantum confinement in nanocluster magnetism

Magnetism in reduced dimensions

Spin and orbital magnetic moments of size-selected iron, cobalt, and nickel clusters

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