Spin-polarized quantized electronic structure of Fe(001) with symmetry breaking due to the magnetization direction

Młyńczak, Ewa; Aguilera, Irene; Gospodarič, Pika; Heider, Tristan; Jugovac, Matteo; Zamborlini, Giovanni; Tusche, Christian; Suga, S.; Feyer, Vitaliy; Blügel, Stefan; Pluciński, Łukasz; Schneider, Claus M.

doi:10.1103/physrevb.103.035134

Cited by 7 publications

(3 citation statements)

References 52 publications

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“…For pristine Fe(100) two prominent features can be observed within the SBZ that are closely related to the d xz , d yz states of bulk iron. [ 44–46 ] The first one extends along the

\overline {\Gamma {\rm{X}}}

path (blue), and vanishes near

\overline \Gamma

and

\overline {\rm{X}}

. The second one is along the

\overline {\Gamma {\rm{M}}}

path and located close to the

\overline {\rm{M}}

‐point (orange).…”

Section: Resultsmentioning

confidence: 99%

“…For pristine Fe(100) two prominent features can be observed within the SBZ that are closely related to the d xz , d yz states of bulk iron. [44][45][46] The first one extends along the X Γ path (blue), and vanishes near Γ and X. The second one is along the M Γ path and located close to the M-point (orange).…”

Section: Spin-integrated Band Structure Of the Interfacementioning

confidence: 99%

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Enhancing Electron Correlation at a 3d Ferromagnetic Surface

et al. 2022

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Spin‐resolved momentum microscopy and theoretical calculations are combined beyond the one‐electron approximation to unveil the spin‐dependent electronic structure of the interface formed between iron (Fe) and an ordered oxygen (O) atomic layer, and an adsorbate‐induced enhancement of electronic correlations is found. It is demonstrated that this enhancement is responsible for a drastic narrowing of the Fe d‐bands close to the Fermi energy (EF) and a reduction of the exchange splitting, which is not accounted for in the Stoner picture of ferromagnetism. In addition, correlation leads to a significant spin‐dependent broadening of the electronic bands at higher binding energies and their merging with satellite features, which are manifestations of a pure many‐electron behavior. Overall, adatom adsorption can be used to vary the material parameters of transition metal surfaces to access different intermediate electronic correlated regimes, which will otherwise not be accessible. The results show that the concepts developed to understand the physics and chemistry of adsorbate–metal interfaces, relevant for a variety of research areas, from spintronics to catalysis, need to be reconsidered with many‐particle effects being of utmost importance. These may affect chemisorption energy, spin transport, magnetic order, and even play a key role in the emergence of ferromagnetism at interfaces between non‐magnetic systems.

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“…For pristine Fe(100) two prominent features can be observed within the SBZ that are closely related to the d xz , d yz states of bulk iron. [ 44–46 ] The first one extends along the

\overline {\Gamma {\rm{X}}}

path (blue), and vanishes near

\overline \Gamma

and

\overline {\rm{X}}

. The second one is along the

\overline {\Gamma {\rm{M}}}

path and located close to the

\overline {\rm{M}}

‐point (orange).…”

Section: Resultsmentioning

confidence: 99%

Section: Spin-integrated Band Structure Of the Interfacementioning

confidence: 99%

Enhancing Electron Correlation at a 3d Ferromagnetic Surface

et al. 2022

Self Cite

View full text Add to dashboard Cite

show abstract

“…The crucial parameter that affects the direction of magnetisation is the film thickness, as it can induce change in the spontaneous magnetisation axis due to the competition between the interface anisotropy and the effective bulk anisotropy, which includes magneto-crystalline and shape anisotropy energies. It has been recently demonstrated that the electronic states can be responsible for the oscillations of the magnetic anisotropy in Fe(001) thin films with periods of five to nine monolayers since the quantum well states formed by d electrons change position in reciprocal space depending on the magnetisation direction [314][315][316]. Magnetisation-dependent spin-orbit gaps were also observed when the system symmetry was decreased compared to the bulk symmetry.…”

Section: Surface Modelmentioning

confidence: 99%

A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles

Farkaš

Leeuw

2021

Materials

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The focus of this review is on the physical and magnetic properties that are related to the efficiency of monometallic magnetic nanoparticles used in biomedical applications, such as magnetic resonance imaging (MRI) or magnetic nanoparticle hyperthermia, and how to model these by theoretical methods, where the discussion is based on the example of cobalt nanoparticles. Different simulation systems (cluster, extended slab, and nanoparticle models) are critically appraised for their efficacy in the determination of reactivity, magnetic behaviour, and ligand-induced modifications of relevant properties. Simulations of the effects of nanoscale alloying with other metallic phases are also briefly reviewed.

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Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies

2021

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This work combines two powerful self-energy techniques: the well-known GW method and a self-energy recently developed by us that describes renormalization effects caused by the scattering of electrons with magnons and Stoner excitations. This GT self-energy, which is fully k-dependent and contains infinitely many spin-flip ladder diagrams, was shown to have a profound impact on the electronic band structure of Fe, Co, and Ni. In the present work, we refine the method by combining GT with the GW self-energy. The resulting GWT spectral functions exhibit strong lifetime effects and emergent dispersion anomalies. They are in an overall better agreement with experimental spectra than those obtained with GW or GT alone, even showing partial improvements over local-spin-density approximation dynamical mean-field theory. The performed analysis provides a basis for applying the GWT technique to a wider class of magnetic materials.

show abstract

Spin-polarized quantized electronic structure of Fe(001) with symmetry breaking due to the magnetization direction

Cited by 7 publications

References 52 publications

Enhancing Electron Correlation at a 3d Ferromagnetic Surface

Enhancing Electron Correlation at a 3d Ferromagnetic Surface

A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles

Electron–plasmon and electron–magnon scattering in ferromagnets from first principles by combining GW and GT self-energies

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