Fine structures in the X-ray photoemission spectra of MnO, FeO, CoO, and NiO single crystals

Parmigiani, F.; Sangaletti, L.

doi:10.1016/s0368-2048(98)00294-1

Cited by 98 publications

(80 citation statements)

References 68 publications

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“…Comparing the relative intensities and the energy differences between main and satellite peaks presented in Fig. 1(b) with the previously reported spectra from bulk samples, one can notice certain differences 39,42 . The satellites of the thin films seem to be less pronounced and U cd -Δ values are relatively larger.…”

Section: Discussionsupporting

confidence: 68%

“…O 1s BE of CoO is found to be 0.5 eV lower than that of FeO which has not been the case for bulk monoxides. Lower O 1s BE has been observed in MnO, but FeO, CoO, and NiO have O 1s XPS spectra with rather similar binding energies 42 . This situation is unique for monolayer thin oxide films grown on metallic substrates, where increasing the layer thicknesses the electronic properties converge to the bulk behavior, thus XPS spectra of the films thicker than 5 atomic layers are expected to become identical to the bulk 46,47 hybridized state in the absorption spectra determines the lowest unoccupied state of the metal site.…”

Section: Discussionmentioning

confidence: 89%

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Identification of the electronic structure differences between polar isostructural FeO and CoO films by core-level soft x-ray spectroscopy

et al. 2013

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The electronic properties of the FeO and CoO single layer thin films on Pt(111) were examined by core level soft X-ray spectroscopy. These oxygen terminated films are bilayer-thick and isostructural, Pt, Fe-Co, and O atoms stacked with small lateral shifts due to incommensurate relation with Pt(111). Probing occupied and unoccupied states projected on the oxygen atoms revealed states at the Fermi level suggesting orbital mixing with the metal substrate and also indicated an anisotropy in transition metal-oxygen bonding geometry. The differences in the core level spectral features were attributed to the substrate induced modification of the charge transfer energy and with an additional valence electron on Co.

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Section: Discussionsupporting

confidence: 68%

Section: Discussionmentioning

confidence: 89%

Identification of the electronic structure differences between polar isostructural FeO and CoO films by core-level soft x-ray spectroscopy

et al. 2013

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“…In 3d transition metal compounds, a well separated satellite by spin-exchange interaction can only be seen for the 3s orbital. This is because the multiplet effect in the 3s spectrum is less prominent than in the other core-level spectra and the magnitude of the exchange integral between the 3d and each core-level is the largest for the 3s level [14,15,16]. Then, we also deconvoluted this small peak into two components corresponding to the Mn(1) and Mn(2) components by assuming a relative intensity of 2:3.…”

Section: Resultsmentioning

confidence: 99%

Bulk-sensitive photoemission of Mn5Si3

Irizawa

Yamasaki

Okazaki

et al. 2002

Solid State Communications

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We have carried out a bulk-sensitive high-resolution photoemission experiment on Mn 5 Si 3 . The measurements are performed for both core level and valence band states. The Mn core level spectra are deconvoluted into two components corresponding to different crystallographic sites. The asymmetry of each component is of noticeable magnitude. In contrast, the Si 2p spectrum shows a simple Lorentzian shape with low asymmetry. The peaks of the valence band spectrum correspond well to the peak positions predicted by the former band calculation.

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“…We then consider 3s photoemission data of Ref. 35 and fit them with a two-peak structure and neglect the very small shoulder, invisible in 2p photoemission data. The results are shown in Fig.…”

Section: A Nickel Oxidementioning

confidence: 99%

K-edge x-ray absorption spectra in transition-metal oxides beyond the single-particle approximation: Shake-up many-body effects

et al. 2012

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The near edge structure (XANES) in K-edge X-ray absorption spectroscopy (XAS) is a widely used tool for studying electronic and local structure in materials. The precise interpretation of these spectra with the help of calculations is hence of prime importance, especially for the study of correlated materials which have a complicated electronic structure per se. The single particle approach, for example, has generally limited itself to the dominant dipolar cross-section. It has long been known however that effects beyond this approach should be taken into account, both due to the inadequacy of such calculations when compared to experiment and the presence of shake-up many-body satellites in core-level photoemission spectra of correlated materials. This effect should manifest itself in XANES spectra and the question is firstly how to account for it theoretically and secondly how to verify it experimentally. By using state-of-the-art first principles electronic structure calculations and 1s photoemission measurements we demonstrate that shake-up manybody effects are present in K-edge XAS dipolar spectra of NiO, CoO and CuO at all energy scales. We show that shake-up effects can be included in K-edge XAS spectra in a simple way by convoluting the single-particle first-principles calculations including core-hole effects with the 1s photoemission spectra. We thus describe all features appearing in the XAS dipolar cross-section of NiO and CoO and obtain a dramatic improvement with respect to the single-particle calculation in CuO. These materials being prototype correlated magnetic oxides, our work points to the presence of shake-up effects in K-edge XANES of most correlated transition metal compounds and shows how to account for them, paving the way to a precise understanding of their electronic structure.

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Fine structures in the X-ray photoemission spectra of MnO, FeO, CoO, and NiO single crystals

Cited by 98 publications

References 68 publications

Identification of the electronic structure differences between polar isostructural FeO and CoO films by core-level soft x-ray spectroscopy

Identification of the electronic structure differences between polar isostructural FeO and CoO films by core-level soft x-ray spectroscopy

Bulk-sensitive photoemission of Mn5Si3

K-edge x-ray absorption spectra in transition-metal oxides beyond the single-particle approximation: Shake-up many-body effects

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