Initial- and final-state effects on screening and branching ratio in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>2</mml:mn><mml:mi>p</mml:mi></mml:mrow></mml:math>x-ray absorption of size-selected free<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:mrow></mml:math>transition metal clusters

Hirsch, Konstantin; Zamudio-Bayer, Vicente; Rittmann, J.; Langenberg, A.; Vogel, M.; Möller, T.; Issendorff, Bernd von; Lau, J. Tobias

doi:10.1103/physrevb.86.165402

Cited by 36 publications

(52 citation statements)

References 83 publications

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“…Even though the line shape is almost bulk-like, the line width 53,63,69 is narrower for the clusters investigated here. In addition to the x-ray absorption spectra, two step functions are shown in Fig.…”

Section: Experimental Methodsmentioning

confidence: 72%

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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Section: Experimental Methodsmentioning

confidence: 72%

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

et al. 2014

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“…Atomic multiplet calculations) are shown in FIG.4 (FIG.4(a) and FIG.4(b), [111]) and for G pd =0 (FIG.4(c) and FIG.4(d), [011]). One cannot expect these atomic multiplet calculations to agree with experimental spectra (unless the experimental data are from single ions without surrounding as shown in [27]). Anyway, these atomic multiplet calculations will provide what the effect of G pd to XAS and PFY is.…”

Section: Discussionmentioning

confidence: 96%

State-dependent fluorescence yields through the core-valence Coulomb exchange parameter

2014

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Total and partial fluorescence yield (PFY) L-edge x-ray absorption spectra differ from the transmission x-ray absorption spectra (XAS) through state-dependent fluorescence yield across the XAS. For 3d1 to 3d 9 in octahedral symmetry we apply simulations of PFY and XAS and show how the atomic 2p3d Coulomb exchange parameter G pd governs the differences in the L3/(L2+L3) branching ratio between PFY and XAS. G pd orders the XAS final states following Hund's rules creating a strong state-dependent fluorescence decay strength variation across the XAS leading to the differences between PFY and XAS.

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“…The overall values are quite high considering that the statistical ratio of L 3 :L 2 is 2:1, and crystal field and spin-orbit interaction normally cause a reduction. However, large branching ratios were observed for small Fe clusters in the gas phase and attributed to size-dependent core-hole screening [44,45].…”

Section: B Small Fe Clusters On Cu(111)mentioning

confidence: 99%

Multiplet features and magnetic properties of Fe on Cu(111): From single atoms to small clusters

et al. 2015

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The observation of sharp atomiclike multiplet features is unexpected for individual 3d atoms adsorbed on transition-metal surfaces. However, we show by means of x-ray absorption spectroscopy and x-ray magnetic circular dichroism that individual Fe atoms on Cu(111) exhibit such features. They are reminiscent of a low degree of hybridization, similar to 3d atoms adsorbed on alkali-metal surfaces. We determine the spin, orbital, and total magnetic moments, as well as magnetic anisotropy energy for the individual Fe atoms and for small Fe clusters that we form by increasing the coverage. The multiplet features are smoothened and the orbital moment rapidly decreases with increasing cluster size. For Fe monomers, comparison with density functional theory and multiplet calculations reveals a d 7 electronic configuration, owing to the transfer of one electron from the 4s to the 3d states.

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Initial- and final-state effects on screening and branching ratio in2px-ray absorption of size-selected free3dtransition metal clusters

Cited by 36 publications

References 83 publications

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

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

State-dependent fluorescence yields through the core-valence Coulomb exchange parameter

Multiplet features and magnetic properties of Fe on Cu(111): From single atoms to small clusters

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