Clean Ir(111) and Pt(111) electronic surface states: A first-principle fully relativistic investigation

Corso, Andrea Dal

doi:10.1016/j.susc.2015.03.013

Cited by 30 publications

(44 citation statements)

References 33 publications

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“…Obviously, it is not necessary to probe many atomic layers in order to observe a bulk state and its 3D dispersion. The same has been observed in previous spin-resolved experiments for Ir(111) [48] and Pt(111) [50] in normal emission (i.e. along --L), where the correct kz-dispersion of the bulk bands could be measured in the VUV range, see also [53].…”

Section: Photoelectron Spin Polarizationsupporting

confidence: 86%

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Spin-filtered time-of-flight k-space microscopy of Ir – Towards the “complete” photoemission experiment

et al. 2017

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The combination of momentum microscopy (high resolution imaging of the Fourier plane) with an imaging spin filter has recently set a benchmark in k-resolution and spin-detection efficiency. Here we show that the degree of parallelization can be further increased by time-of-flight energy recording. On the quest towards maximum information (in earlier work termed "complete" photoemission experiment) we have studied the prototypical high-Z fcc metal iridium. Large partial bandgaps and strong spin-orbit interaction lead to a sequence of spin-polarized surface resonances. Soft X-rays give access to the 4D spectral density function ρ (E,k,k,k) weighted by the photoemission cross section. The Fermi surface and all other energy isosurfaces, Fermi velocity distribution v(k), electron or hole conductivity, effective mass and inner potential can be obtained from the multi-dimensional array ρ by simple algorithms. Polarized light reveals the linear and circular dichroism texture in a simple manner and an imaging spin filter exposes the spin texture. One-step photoemission calculations are in fair agreement with experiment. Comparison of the Bloch spectral function with photoemission calculations uncovers that the observed high spin polarization of photoelectrons from bulk bands originates from the photoemission step and is not present in the initial state.

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Section: Photoelectron Spin Polarizationsupporting

confidence: 86%

“…The combination of surface bands with bulk bands, involving several avoided crossings and hybridization regions makes the valence band structure of iridium quite complex (see also [48]). The full 4D and 3D spectral functions given in chapters 4 and 5, respectively, are necessary to disentangle the band features.…”

Section: Band Structure and Linear Dichroismmentioning

confidence: 99%

Spin-filtered time-of-flight k-space microscopy of Ir – Towards the “complete” photoemission experiment

et al. 2017

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“…Similar states have been studied in Ir(111) and Pt(111) surfaces ( [7], [9], [14]- [20]). Passing from Au to Pt and to Ir their behavior changes: in Au(111) they are found in a PBS gap (the so called L-gap) and show a positive curvature dispersion, while in Ir(111) they hybridize with bulk states and have a characteristic negative curvature [19].…”

Section: Introductionmentioning

confidence: 70%

“…In Pt(111) their nature turns out to be trickier to characterize. At variance with Au(111) they are empty and resemble the Au(111) states away fromΓ, but close toΓ they are very close to bulk states and the predicted hybridization is quite sensitive to the technical details of the calculation [7], [9].…”

Section: Introductionmentioning

confidence: 99%

Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

Urru

Corso

2018

Surface Science

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We analyze the electronic structure of the Os(0001) surface by means of firstprinciple calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k , the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

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“…While the surface state of clean fcc-Ir(111) substrate is occupied [26], it is unoccupied in fcc-Pd(111) [25]. This aspect is interesting since if one exchanges Ir with another neighboring element from the periodic table being valence-isoelectronic to Pd, e.g.…”

Section: Introductionmentioning

confidence: 99%

Unoccupied surface and interface states in Pd thin films deposited on Fe/Ir(111) surface

et al. 2019

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We present a systematic first-principles study of the electronic surface states and resonances occuring in thin films of Pd of various thicknesses deposited on a single ferromagnetic monolayer (ML) of Fe on top of Ir(111) substrate. This system is of interest since one Pd layer deposited on Fe/Ir(111) hosts small magnetic skyrmions. The latter are topological magnetic objects with swirling spin-textures with possible implications in the context of spintronic devices since they have the potential to be used as magnetic bits for information technology. The stabilization, detection and manipulation of such noncollinear magnetic entities require a quantitative investigation and a fundamental understanding of their electronic structure. Here we investigate the nature of the unoccupied electronic states in Pd/Fe/ Ir(111), which are essential in the large spin-mixing magnetoresistance signature captured using non spin-polarized scanning tunneling microscopy (Crum et al 2015 Nat. Commun. 6 8541, Hanneken et al 2015 Nat. Nanotechnol. 10 1039). To provide a complete analysis, we investigate bare Fe/Ir(111) and Pd n=2,7 /Fe/Ir(111) surfaces. Our results demonstrate the emergence of surface and interface states after deposition of Pd MLs, which are strongly impacted by the large spin-orbit coupling of Ir surface.

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Clean Ir(111) and Pt(111) electronic surface states: A first-principle fully relativistic investigation

Cited by 30 publications

References 33 publications

Spin-filtered time-of-flight k-space microscopy of Ir – Towards the “complete” photoemission experiment

Spin-filtered time-of-flight k-space microscopy of Ir – Towards the “complete” photoemission experiment

Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

Unoccupied surface and interface states in Pd thin films deposited on Fe/Ir(111) surface

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