Resonant Photoemission in Nickel Metal

Guillot, Claude; Ballu, Y.; Paigné, J.; Lecante, J.; Jain, Kavita; Thiry, P.; Pinchaux, R.; Pétroff, Y.; Falicov, L. M.

doi:10.1103/physrevlett.39.1632

Cited by 483 publications

(130 citation statements)

References 12 publications

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“…As discussed above, LSDA calculations for fcc Ni cannot reproduce various features of the electronic structure of Ni which had been observed experimentally. Besides the fact that valence band photoemission spectra of Ni [21][22][23] show a reduced 3d-band width compared to LSDA calculations 88 the spectra show a dispersionless feature at a BE of about 6 eV, the so-called 6-eV satellite, 77,78,[89][90][91][92] which is not reproducible within the LSDA approach. On the other hand, an improved description of correlation effects for the 3d electrons using many-body techniques 19,85,86 or in a more modern view applying the LSDA + DMFT scheme 24,60,93 results more or less in the experimental width of the 3d-band complex and furthermore is able to reproduce the 6-eV satellite structure in the valence band region.…”

Section: Satellite Features: Nimentioning

confidence: 89%

“…The electronic structure of fcc Ni has been the subject of numerous experimental [77][78][79][80][81][82][83][84] and theoretical studies [85][86][87] as a prototype of an itinerant electron ferromagnet, since shortcomings of simple one-electron theory are obvious. As discussed above, LSDA calculations for fcc Ni cannot reproduce various features of the electronic structure of Ni which had been observed experimentally.…”

Section: Satellite Features: Nimentioning

confidence: 99%

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Effects of spin-dependent quasiparticle renormalization in Fe, Co, and Ni photoemission spectra:An experimental and theoretical study

Sánchez-Barriga

Braun²,

Minář³

et al. 2012

Phys. Rev. B

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We have investigated the spin-dependent quasiparticle lifetimes and the strength of electron correlation effects in the ferromagnetic 3d transition metals Fe, Co, and Ni by means of spin-and angle-resolved photoemission spectroscopy. The experimental data are accompanied by state-of-the-art many-body calculations within the dynamical mean-field theory and the three-body scattering approximation, including fully relativistic calculations of the photoemission process within the one-step model. Our quantitative analysis reveals that inclusion of local many-body Coulomb interactions are of ultimate importance for a realistic description of correlation effects in ferromagnetic 3d transition metals. However, we found that more sophisticated many-body calculations with larger modifications in the case of Fe and Co are still needed to improve the quantitative agreement between experiment and theory. In general, it turned out that not only the dispersion behavior of energetic structures should be affected by nonlocal correlations but also the line widths of most of the photoemission peaks are underestimated by the current theoretical approaches. The increasing values of the on-site Coulomb interaction parameter U and the band narrowing of majority spin states obtained when moving from Fe to Ni indicate that the effect of nonlocal correlations becomes weaker with increasing atomic number, whereas correlation effects tend to be stronger.

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Section: Satellite Features: Nimentioning

confidence: 89%

Section: Satellite Features: Nimentioning

confidence: 99%

Effects of spin-dependent quasiparticle renormalization in Fe, Co, and Ni photoemission spectra:An experimental and theoretical study

Sánchez-Barriga

Braun²,

Minář³

et al. 2012

Phys. Rev. B

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“…Various low temperature properties of nickel can be understood by employing standard band-structure approaches. 26,38 Nevertheless, these techniques generally fail to reproduce many characteristic features of nickel, such as an existence of satellite structure 39 at −6 eV, 3d electron bandwidth, 40 and the value of exchange splitting. 40 Applications of LDA + DMFT to study the electronic and magnetic properties of nickel have given a good quantitative description of many of these phenomena.…”

Section: Nickelmentioning

confidence: 99%

Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations

2013

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We present a rotationally invariant Hirsch-Fye quantum Monte Carlo algorithm in which the spin rotational invariance of Hund's exchange is approximated by averaging over all possible directions of the spin quantization axis. We employ this technique to perform benchmark calculations for the two-and three-band Hubbard models on the infinite-dimensional Bethe lattice. Our results agree quantitatively well with those obtained using the continuous-time quantum Monte Carlo method with rotationally invariant Coulomb interaction. The proposed approach is employed to compute the electronic and magnetic properties of paramagnetic α iron and nickel. The obtained Curie temperatures agree well with experiment. Our results indicate that the magnetic transition temperature is significantly overestimated by using the density-density type of Coulomb interaction.

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“…The same physical process has been previously referred to as autoionisation, resonant photoemission or resonant Auger spectroscopy. Many of the previous studies of this deexcitation process have dealt with the phenomenon in terms of interference effects giving rise to Fano profiles in the absorption cross section (Guillot et al 1977;Schmidt et al 1983), which are more pronounced for lower energy excitations where the valence cross section is still appreciable compared with the core to bound absorption cross section. The experiments described in the present paper utilise the Is core level where, in general, the photon energy required for a core to bound excitation is sufficiently large that the direct valence photoemission is very weak and interference effects are minimal.…”

mentioning

confidence: 99%

Deexcitation Electron Spectroscopy: A Probe for the Localisation of Valence Wavefunctions in Free and Adsorbed Molecules

Eberhardt¹,

Plummer²,

Chen³

et al. 1986

Aust. J. Phys.

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Deexcitation electron spectroscopy (DES) is the measurement of the kinetic energy distribution of electrons emitted in the decay of highly excited states of molecules formed by core to bound resonant photon absorption. This spectroscopy has the potential of becoming a new probe of the localised properties of the valence electronic states in molecules as well as furnishing new insights into the dynamics of the electronic decay and screening processes. This paper describes the basic principles of DES by following the evolution of the DES spectra in CO, from the isolated CO molecule in the gas phase, through the transition metal carbonyls, to CO adsorbed on a surface. In all three cases the energetics, intensities and dynamics of DES will be compared with photoelectron spectroscopy (PES) and Auger electron spectroscopy (AES).

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Resonant Photoemission in Nickel Metal

Cited by 483 publications

References 12 publications

Effects of spin-dependent quasiparticle renormalization in Fe, Co, and Ni photoemission spectra:An experimental and theoretical study

Effects of spin-dependent quasiparticle renormalization in Fe, Co, and Ni photoemission spectra:An experimental and theoretical study

Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations

Deexcitation Electron Spectroscopy: A Probe for the Localisation of Valence Wavefunctions in Free and Adsorbed Molecules

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