Theory of vacancies near a bimetallic interface

Yaniv, Avishay

doi:10.1103/physrevb.22.4776

Cited by 12 publications

(4 citation statements)

References 16 publications

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“…This means that the information on the atomic relaxation around a bulk vacancy cannot be used directly for the surface vacancies. The similar effects can also be expected for vacancies in the dislocation core region [28] or for vacancies near grain boundaries and near solid-solid interfaces [29].…”

Section: ( 5 )supporting

confidence: 66%

Tight‐Binding Electronic Theory for Lattice Defects in Transition Metals. Correlation Effects

Masuda‐Jindo

1984

Physica Status Solidi (b)

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A tight-binding type electronic theory is used to calculate the atomic relaxation (a&), formation and binding energies (Ef, and &,in) of vacancy-type lattice defects in transition metals. The shortrange repulsive energies between atomic sites i and j are simulated by the Born-Mayer potential.An electronic correlation contribution is taken into account using a second-order perturbation theory within the Hubbard model. It is shown that correlation effects play a significant role in determining the physical properties of the lattice defects (aR,, Ef,, and &,in) in transition metals. This tendency is observed for the lattice defects on the surface as well.Eine elektronische "tight-binding"-Theorie wird benutzt, urn die atomare Relaxation (a&), die Tendenz wird auch fur die Gitterdefekte a n der Oberflache beobachtet.

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Section: ( 5 )supporting

confidence: 66%

Tight‐Binding Electronic Theory for Lattice Defects in Transition Metals. Correlation Effects

Masuda‐Jindo

1984

Physica Status Solidi (b)

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“…Moreover, when the bimetallic interfaces are formed, they are much likely to induce defects and disorders in their vicinity which disturbs the symmetry of the system (Yaniv 1980). Although for such exchange coupling, conventionally, the interface boundary is expected to be of FM/ AFM nature, however, the canted spins at the interfaces are also possible for systems like the present one including Fig.…”

Section: Magnetizationmentioning

confidence: 82%

Investigating the origin of exchange bias effect in ferromagnetic FeNi nanoparticles prepared via controlled synthesis

et al. 2021

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In the present work, the FeNi nanoparticles have been synthesized using NaBH 4 reduced co-precipitation technique followed by annealing at 210 °C for 4 h in a simple box furnace. The nanoparticles were characterized using X-ray diffraction (XRD), Field emission scanning electron microscopy (FE-SEM), Energy-dispersive X-ray spectroscopy (EDS), Raman spectroscopy, and dc magnetization. The XRD analysis revealed the formation of dual phases (FeNi 3 ; FeNi) with face-centred cubic symmetry along with the additional phases of oxonium Ni oxide (NiOOH), hexagonal-Fe and iron peroxide (FeOOH). The FE-SEM micrographs demonstrated the evolution of dumb-bell shape morphology due to the heterogeneous growth of the nuclei resulting into agglomeration of particles. The XRD and FE-SEM collectively confirmed the nanometre (nm) dimensions of the particles. The mapping performed using EDS spectra validates the elemental compositions of the Nanoparticles. The Raman spectra reiterated the presence of impurity phases in addition to the trivial amount of NiO. The M-H (field dependent magnetization) hysteresis curves, plotted under the conditions of field cooled (FC) and zero field cooled (ZFC), shifted horizontally by ~ 14Oe indicating presence of exchange bias. Alongside, FC-ZFC MT (temperature-dependent magnetization) curves also showed bifurcation at temperatures below 300 K that is also an indicative to the exchange bias. In brief, the exchange bias has been confirmed in ferromagnetic FeNi nanoparticles and the origin may be attributed to the exchange interactions at the particle interfaces having canted spins which emerge due to the presence of impurities and dual phases of FeNi.

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“…To calculate the change in the electronic DOS AQ(E) upon chemisorption, we use a phase-shift technique [16]. This method is very powerful (exact within one electron approximation) and has been applied to wide variety of solid state physics problems such as surface reconstruction [18], bimetallic interface [19] and metal-semiconductor junctions [20].…”

Section: Principle Of Calculationsmentioning

confidence: 99%

Chemisorption of Ordered Overlayer on a Tight-Binding Metal Surface Two-Level Adsorbate

Masuda¹

1982

Zeitschrift Für Naturforschung A

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The chemisorption of a two-level (at E\ and E2) adsorbate on the (001) surface of a tightbinding metal is investigated using the Green's function formalism and the phase shift technique. The adorbital density of states (DOS)oa(£') as well as the change in the electronic DOS AN(E; Ei, E2) due to chemisorption are calculated for the ordered overlayers with c(2 x 2), p(2 x 1), p(2 X 2), p(4 X 1) and c(4 X 2) structures. It is assumed that the chemisorbed species sit over the twofold bridge site of the (001) surface of the model transition metal and have a ^-bonding interaction with the two substrate atoms. It is shown that the electronic states of the overlayers are very sensitive to the adsorbate coverage (0), adsorbate structure and adsorbate species (one level or two level adsorbates). Furthermore, it is shown that there are marked differences in the AQ(E) curves between the chemisorption of two level adsorbates AO(E; E\, E%) and that of single level adsorbates AQ(E; EI) + AQ(E; E2) (simulating the changes in the electronic DOS during the dissociation of diatomic molecules).

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Theory of vacancies near a bimetallic interface

Cited by 12 publications

References 16 publications

Tight‐Binding Electronic Theory for Lattice Defects in Transition Metals. Correlation Effects

Tight‐Binding Electronic Theory for Lattice Defects in Transition Metals. Correlation Effects

Investigating the origin of exchange bias effect in ferromagnetic FeNi nanoparticles prepared via controlled synthesis

Chemisorption of Ordered Overlayer on a Tight-Binding Metal Surface Two-Level Adsorbate

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