Auger decay of quasiparticle states: Calculation of the Ni 3<i>p</i>photoemission spectrum in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">NiCl</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Okada, Kozo; Kotani, Akio; Ogasawara, Haruhiko; Seino, Y.; Thole, B. T.

doi:10.1103/physrevb.47.6203

Cited by 42 publications

(24 citation statements)

References 28 publications

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“…The latter might be rather ascribed to a state dependent lifetime broadening, which could not be taken into account in a unique way. 31 Despite their surprising symmetry, Mn(II) ions remain in the HS state as expected for MnFe Prussian blue analogues. The only relevant charge transfer mixing parameter is associated to s backdonation from the highest occupied a 1g orbitals of the metal ion to the CN À ligand (Table 1).…”

Section: Xas Spectra Of Cofe Prussian Blue Analoguesmentioning

confidence: 99%

Metal-to-ligand and ligand-to-metal charge transfer in thin films of Prussian blue analogues investigated by X-ray absorption spectroscopy

Bonhommeau¹,

Pontius²,

Cobo

et al. 2008

Phys. Chem. Chem. Phys.

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A series of thin films of Prussian blue analogues is investigated by X-ray absorption spectroscopy (XAS) at the Fe, Co and Mn L 2,3 -edges. The ligand field multiplet theory enables us to examine accurately the electronic structure of these materials. Experimental XAS spectra of CoFe Prussian blue analogues are successfully reproduced using a ground state configuration including metal-toligand (MLCT) and ligand-to-metal charge transfer (LMCT) at the Co and Fe L 2,3 -edges. In particular, a huge improvement is achieved for satellite peaks at the Co(III) L 2,3 -edges compared to previous calculations in the literature based on LMCT effects only. On the other hand, XAS spectra of MnFe analogues synthesized for the first time, can be reproduced conveniently by taking into account either MLCT or LMCT depending on the conditions of the sample preparation. For each thin film, the proportion of the different oxidation states of Co, Fe and Mn is evaluated. Unexpectedly, this analysis reveals the presence of a significant amount of a reduced phase, which turns out to be strongly dependent on the sample synthesis and storage conditions.

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Section: Xas Spectra Of Cofe Prussian Blue Analoguesmentioning

confidence: 99%

Metal-to-ligand and ligand-to-metal charge transfer in thin films of Prussian blue analogues investigated by X-ray absorption spectroscopy

Bonhommeau¹,

Pontius²,

Cobo

et al. 2008

Phys. Chem. Chem. Phys.

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“…For example, the sum rule equating RIXS intensity (summed over energy loss and momentum) to the XAS spectrum is broken when core hole lifetimes are incorrect. At resonances in the EUV, a particularly broad range of core hole lifetimes can be observed, and core hole lifetime can vary significantly as a function of incident energy at a given resonance edge [6,[31][32][33].…”

Section: Incident Energy Dependence Of Core Hole Lifetimementioning

confidence: 99%

“…Much better correspondence with data is achieved when the differing decay rates for different resonance states are taken into account [see Figure 5A right), in modeling methods that employ a self consistent lifetime correction (SCLC) for the dependence of core hole decay rate on the multiplet symmetry (see [6,31,32] and Appendix). Figure 5B illustrates the scattering channels that underlie M-edge scattering in nickel oxide.…”

Section: Incident Energy Dependence Of Core Hole Lifetimementioning

confidence: 99%

“…The lifetime of shallow core hole resonance states accessed in the EUV has a complex dependence on incident photon energy [6,[31][32][33], and can provide the option to access both long and short core hole lifetimes at the same resonance edge. The effective shake-up perturbation caused by shallow core holes also tends to be weaker, and can exclude some classes of excitations that are not directly created by the action of the scattering photon operators (e.g., multi-magnons, phonons, charge transfer modes) [3,4,7,8,10,28,34,35].…”

Section: Introductionmentioning

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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“…In order to compare theoretical and experimental SPXANES directly one must take into account that in the case of NiF 2 crystal a degree of spin-polarization of different features of emission spectrum is not very high. As can be seen from the results of the X-ray emission spectrum interpretation [10,22] (see the insert of Fig. 3) for the negative relative emission energies the spin-up component is dominated.…”

Section: Originalmentioning

confidence: 78%

Spin‐polarized XANES: theoretical analysis of the Ni K‐edge of NiF₂

Smolentsev

Soldatov

2005

Physica Status Solidi (b)

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Theoretical interpretations of spin-dependent X-ray absorption near edge structure (XANES) spectra measured by selectively monitoring of the Ni K-beta emission while scanning the excitation energy through the Ni K absorption edge have been performed. Analysis is based on a combination of selfconsistent spin-polarized calculation of muffin-tin potential and a full multiple scattering theory of X-ray absorption. This approach allows us to separate the influence of dipole transition matrix elements and the density of empty electronic states on spin-dependent XANES. It is found that the matrix elements affect splitting between spin-up and spin-down spectra only near the absorption threshold, while differences in densities of states slightly shift the spectra in the region 25 -35 eV above the main edge. The effects of the multielectron-term-dependent broadening of spin-dependent XANES and mixing of purely spin-polarized spectra were taken into account.

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Auger decay of quasiparticle states: Calculation of the Ni 3pphotoemission spectrum inNiCl2

Cited by 42 publications

References 28 publications

Metal-to-ligand and ligand-to-metal charge transfer in thin films of Prussian blue analogues investigated by X-ray absorption spectroscopy

Metal-to-ligand and ligand-to-metal charge transfer in thin films of Prussian blue analogues investigated by X-ray absorption spectroscopy

Extending resonant inelastic X-ray scattering to the extreme ultraviolet

Spin‐polarized XANES: theoretical analysis of the Ni K‐edge of NiF₂

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Auger decay of quasiparticle states: Calculation of the Ni 3pphotoemission spectrum inNiCl2

Cited by 42 publications

References 28 publications

Metal-to-ligand and ligand-to-metal charge transfer in thin films of Prussian blue analogues investigated by X-ray absorption spectroscopy

Metal-to-ligand and ligand-to-metal charge transfer in thin films of Prussian blue analogues investigated by X-ray absorption spectroscopy

Extending resonant inelastic X-ray scattering to the extreme ultraviolet

Spin‐polarized XANES: theoretical analysis of the Ni K‐edge of NiF2

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Spin‐polarized XANES: theoretical analysis of the Ni K‐edge of NiF₂