Unusual effect of interatomic interactions on magnetism: Rh adatoms on the Ag(001) surface

Stepanyuk, V. S.; Hergert, W.; Rennert, P.; Izquierdo, J.L.; Vega, A.; Balbás, L. C.

doi:10.1103/physrevb.57.r14020

Cited by 14 publications

(7 citation statements)

References 15 publications

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“…et al34 for Rh nanoclusters supported on Ag͑001͒. In contrast to 3d clusters such as Ni, where we have obtained in a previous work a linear decreasing dependence of with Z ͑see Ref.…”

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confidence: 47%

“…In another context, ab initio calculations for the Rh dimer supported on Ag͑001͒ have also shown that this metal does not always follow the general trends of magnetism with respect to the coordination number and interatomic distances. 34 The local magnetic moment in the supported dimer decreases while increasing the interatomic distance, in contrast to the general behavior of the 3d elements. Therefore, we believe that a systematic study of both the geometrical structure and magnetic properties is required for freestanding Rh N clusters in a size range similar to that studied experimentally.…”

Section: Introductionmentioning

confidence: 93%

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Structure and magnetism of small rhodium clusters

et al. 2002

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We report a systematic study of the structural and magnetic properties of free-standing rhodium clusters (Rh N , 4рNр26). The geometrical structures of the global minima and lowest energy isomers were obtained with a semiempirical Gupta potential and employing a global evolutive search algorithm. The spin-polarized electronic structure and related magnetic properties of these geometries were calculated by solving selfconsistently a spd tight-binding Hamiltonian. We determined the possible coexistence of different isomers and found that inclusion does not, in general, change significantly the magnetic moments obtained for the global minima structures. Results are compared with the experiment and with other theoretical calculations available in the literature.

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“…et al34 for Rh nanoclusters supported on Ag͑001͒. In contrast to 3d clusters such as Ni, where we have obtained in a previous work a linear decreasing dependence of with Z ͑see Ref.…”

contrasting

confidence: 47%

Section: Introductionmentioning

confidence: 93%

Structure and magnetism of small rhodium clusters

et al. 2002

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“…Several theoretical studies have shown that magnetism in 4d systems is strongly influenced by a number of factors, such as symmetry, coordination and interatomic distances. 17,21 One can expect that due to the large extension of the 4d wave functions the influence of atomic relaxations on magnetic moments of 4d systems should be stronger than for the 3d ones. We have performed spin-polarized and paramagnetic calculations for Pd and Rh chains of different sizes before the breaking in the relaxed geometry.…”

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confidence: 99%

Magnetism and structure of atomic-size nanocontacts

et al. 2004

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State of art ab initio calculations in a fully relaxed geometry reveal the interplay between structure and magnetism in atomic-sized nanocontacts. Our studies for Co, Pd, and Rh nanocontacts sandwiched between Cu electrodes demonstrate that atomic relaxations strongly affect magnetic states and lead to an inhomogeneous distribution of magnetic moments on atoms of nanocontacts. Stable ferromagnetic solutions with large magnetic moments are found for Co and Rh nanocontacts before breaking of the contact. We predict that Pd nanocontacts are nonmagnetic before the breaking, however, the energy difference between ferromagnetic and nonmagnetic states is only 6 meV. Our results suggest that variations in the structure, temperature or applied field could lead to transitions between magnetic and nonmagnetic states in Pd nanocontacts.

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“…be assigned to the second and third image state. In this way, besides the fact that the experimental and theoretical time scales are quite different, a direct comparison between our model calculations and corresponding experimental data, as for example published by Shumay et al, 46 is feasible.…”

Section: Ppe From Ag(100)mentioning

confidence: 75%

One-step theory of two-photon photoemission

et al. 2016

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A theoretical frame for two-photon photoemission is derived from the general theory of pump-probe photoemission, assuming that not only the probe but also the pump pulse is sufficiently weak. This allows us to use a perturbative approach to compute the lesser Green function within the Keldysh formalism. Two-photon photoemission spectroscopy is a widely used analytical tool to study non-equilibrium phenomena in solid materials. Our theoretical approach aims at a material-specific, realistic and quantitative description of the time-dependent spectrum based on a picture of effectively independent electrons as described by the local-density approximation in band-structure theory. To this end we follow Pendry's one-step theory of the photoemission process as close as possible and heavily make use of concepts of multiple-scattering theory, such as the representation of the final state by a time-reversed low-energy electron diffraction state. The formalism is fully relativistic and allows for a quantitative calculation of the time-dependent photocurrent for moderately correlated systems like simple metals or more complex compounds like topological insulators. An application to the Ag(100) surface is discussed in detail.Comment: 10 pages, 5 figure

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Unusual effect of interatomic interactions on magnetism: Rh adatoms on the Ag(001) surface

Cited by 14 publications

References 15 publications

Structure and magnetism of small rhodium clusters

Structure and magnetism of small rhodium clusters

Magnetism and structure of atomic-size nanocontacts

One-step theory of two-photon photoemission

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