Localized Electronic Excitations in NiO Studied with Resonant Inelastic X-Ray Scattering at the Ni<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>M</mml:mi></mml:math>Threshold: Evidence of Spin Flip

Chiuzbăian, S. G.; Ghiringhelli, G.; Dallera, C.; Grioni, M.; Amann, Peter; Wang, X.; Braicovich, L.; Patthey, L.

doi:10.1103/physrevlett.95.197402

Cited by 81 publications

(76 citation statements)

References 25 publications

(22 reference statements)

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“…The principle electronic excitations observed in Xray absorption spectroscopy (XAS) and RIXS with p-symmetry core holes on Co [7,16], Ni [6,8,14,15,17,18,36], and Cu [8,9] are closely identified with excitation matrix elements obtained from AM based calculations for a high-spin 2+ valence atomic state perturbed by the crystal field of surrounding oxygen atoms. The compounds CoO and NiO have a rock salt crystal structure, with an octahedral crystal field on the transition metal site, and strong antiferromagnetic superexchange interactions through σ -bonded oxygen atoms.…”

Section: Methodsmentioning

confidence: 99%

“…Previous experimental studies performed with soft X-rays at the transition metal L-edge (700-900 eV) have noted that charge transfer features from these materials have significant intensity at 4-7 eV energy loss [14,[16][17][18]. M-edge studies have noted that charge transfer excitations are weak, but stopped short of presenting data that covered the Mott gap feature [15,16]. Broadrange M-edge RIXS resonance profiles of CoO and NiO are shown in Figure 3, including energies above the insulating gap.…”

Section: Looking For Charge Transfer Excitations Outside the Am Windowmentioning

confidence: 99%

“…In the SIAM implementation for NiO, coupling with the ligand band reduces the effective 10Dq value to 0.53 eV. Values of 10Dq are chosen to match the sharp onset lineshape of the ∼1 eV t 2g to e g excitation in experimental spectra, as described in Chiuzbˇaian et al [15], Wray et al [6,7]. The calculations use atomic values of interd-orbital Slater-Condon interaction parameters (F2(dd),F4(dd)) for the SIAM, and scale them to 80% for AM simulations (64% of bare Hartree-Fock parameters).…”

Section: Conflict Of Interest Statementmentioning

confidence: 99%

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Extending resonant inelastic X-ray scattering to the extreme ultraviolet

et al. 2015

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In resonant inelastic X-ray scattering (RIXS), core hole resonance modes are used to enhance coupling between photons and low energy electronic degrees of freedom. Resonating with shallow core holes accessed in the extreme ultraviolet (EUV) can provide greatly improved energy resolution at standard resolving power, but has been found to often yield qualitatively different spectra than similar measurements performed with higher energy X-rays. This paper uses experimental data and multiplet-based numerical simulations for the M-edges of Co-, Ni-, and Cu-based Mott insulators to review the properties that distinguish EUV RIXS from more commonly performed higher energy measurements. Key factors such as the origin of the strong EUV elastic line and advantages of EUV spectral functions over soft X-ray RIXS for identifying intrinsic excitation line shapes are discussed.

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Section: Methodsmentioning

confidence: 99%

Section: Looking For Charge Transfer Excitations Outside the Am Windowmentioning

confidence: 99%

Section: Conflict Of Interest Statementmentioning

confidence: 99%

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Extending resonant inelastic X-ray scattering to the extreme ultraviolet

et al. 2015

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“…RIXS is very sensitive to orbital excitations, in particular in the soft x-ray range. [33][34][35][36][37][38][39][40][41][42][43][44][45] At the V L edge, a photon is resonantly absorbed, exciting a 2p core electron to an empty 3d state, and subsequently this intermediate state decays by re-emitting a photon, leaving the system in, e.g., an orbitally excited state. One major advantage of RIXS over Raman scattering with visible light is the short wavelength of x-rays, allowing to study the excitations as a function of the transferred momentum q.…”

Section: Introductionmentioning

confidence: 99%

Orbital superexchange and crystal field simultaneously at play in YVO3: Resonant inelastic x-ray scattering at the VLedge and the OKedge

et al. 2013

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Orbital superexchange and crystal field simultaneously at play in YVO3Benckiser, E.; Fels, L.; Ghiringhelli, G.; Sala, M. Moretti; Schmitt, T.; Schlappa, J.; Strocov, V. N.; Mufti, N.; Blake, G. R.; Nugroho, A. A. Take-down policy If you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim.Downloaded from the University of Groningen/UMCG research database (Pure): http://www.rug.nl/research/portal. For technical reasons the number of authors shown on this cover page is limited to 10 maximum. We report on the observation of orbital excitations in YVO 3 by means of resonant inelastic x-ray scattering (RIXS) at energies across the vanadium L 3 and oxygen K absorption edges. At the V L 3 edge, we are able to resolve the full spectrum of orbital excitations up to 5 eV. In order to unravel the effect of superexchange interactions and the crystal field on the orbital excitations, we analyzed the energy and temperature dependence of the intra-t 2g excitations at 0.1-0.2 eV in detail. While these results suggest a dominant influence of the crystal field, peak shifts of about 13-20 meV observed as a function of the transferred momentum q a reflect a finite dispersion of the orbital excitations. This is puzzling since theoretical models based on superexchange interactions predict a dispersion only for q c. Furthermore, we demonstrate that RIXS at the O K edge is very sensitive to intersite excitations. At the O K edge, we observe excitations across the Mott-Hubbard gap and an additional feature at 0.4 eV, which we attribute to two-orbiton scattering, i.e., an exchange of orbitals between adjacent sites. Altogether, our results indicate that both superexchange interactions and the crystal field are important for a quantitative understanding of the orbital excitations in YVO 3 .

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“…The origin of such spin-flip transitions, both in resonant Auger and RIXS [61][62][63][64][65][66][67], has always been at the centre of a debate about whether they take place in the absorption step or in the corehole decay. The spin flip transitions observed here are a combined effect of spin-orbit coupling in the 2p 3/2 core shell and exchange Coulomb decay.…”

Section: Resultsmentioning

confidence: 99%

Real-space Green's function approach to angle-resolved resonant photoemission: Spin polarization and circular dichroism in itinerant magnets

Pieve

Krüger

2013

Phys. Rev. B

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A first principles approach, based on the real space multiple scattering Green's function method, is presented for spin-and angle-resolved resonant photoemission from magnetic surfaces. It is applied to the Fe(010) valence band photoemission excited with circularly polarized X-rays around the Fe L3 absorption edge. When the photon energy is swept through the Fe 2p − 3d resonance, the valence band spectra are strongly modified in terms of absolute and relative peak intensities, degree of spin-polarization and light polarization dependence. New peaks in the spin-polarized spectra are identified as spin-flip transitions induced by exchange decay of spin-mixed core-holes. By comparison with single atom and band structure data, it is shown that both intra-atomic and multiple scattering effects strongly influence the spectra. We show how the different features linked to states of different orbital symmetry in the d band are differently enhanced by the resonant effect. The appearance and origin of circular dichroism and spin polarization are analyzed for different geometries of light incidence and electron emission direction, providing guidelines for future experiments.PACS numbers: 78.20. Bh, 78.20.Ls, In the last decade, magnetic circular dichroism (MCD) and spin polarization studies in resonant inelastic X-ray scattering (RIXS) and resonant photoemission (RPES) have acquired great importance in the study of magnetic and correlated materials. Such spectroscopies probe respectively the radiative and non radiative autoionization decay of a core hole, and the signal can be strongly enhanced with respect to the non resonant mode. The element and orbital selectivity of core level resonant spectroscopies allows to access higher order multipoles which are left unexplored by MCD in X-ray absorption (XAS) [1][2][3][4][5][6], to distinguish and enhance specific electronic excitations and satellites [7,8], collective magnetic excitations [9], ultrafast and charge transfer dynamics [10][11][12] and to detect quadrupolar transitions towards localized empty states [13,14]. In particular, RPES has recently been applied to several correlated materials [15][16][17][18][19] and full two dimensional angular scans of resonantly emitted electrons in moderately correlated materials have also been carried out [20,21]. These works, together with earlier pioneering studies [22,23] on local magnetic properties in macroscopically non magnetic systems, demonstrate the importance of RPES and the need for an advancement in the theoretical description of this spectroscopy, which is the main aim of this work.RPES is in principle an autoionization channel of the * Electronic address: fabiana.dapieve@gmail.com more general process called resonant Auger decay. Depending on whether the core-excited electron participates or not in the Auger decay, the process is termed either participator or spectator channel. In the participator channel the one hole final state is degenerate with the one in direct valence band photoemission (PES, or ARPES if angle reso...

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Localized Electronic Excitations in NiO Studied with Resonant Inelastic X-Ray Scattering at the NiMThreshold: Evidence of Spin Flip

Cited by 81 publications

References 25 publications

Extending resonant inelastic X-ray scattering to the extreme ultraviolet

Extending resonant inelastic X-ray scattering to the extreme ultraviolet

Orbital superexchange and crystal field simultaneously at play in YVO3: Resonant inelastic x-ray scattering at the VLedge and the OKedge

Real-space Green's function approach to angle-resolved resonant photoemission: Spin polarization and circular dichroism in itinerant magnets

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