Electronic-structure investigation of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CeB</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>by means of soft-x-ray scattering

Magnuson, Martin; Butorin, Sergei M.; Guo, JH; Agui, Akane; Nordgren, J.; Ogasawara, Haruhiko; Kotani, Akio; Takahashi, Takashi; Kunii, S.

doi:10.1103/physrevb.63.075101

Cited by 27 publications

(12 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The magnitude of the elastic scattering primarily depends on the experimental geometry and the surface roughness. The apparent elastic peak ͑re-emission͒ is known to be strong in correlated materials with localized 3d and 4f electrons as observed for rareearth materials 26 where multiplet calculations are usable. Calculated N K SXE spectra using DFT with projected 2p xy and 2p z symmetries are shown at the bottom of Fig.…”

Section: Resultsmentioning

confidence: 99%

Electronic structure and chemical bonding anisotropy investigation of wurtzite AlN

et al. 2009

Self Cite

View full text Add to dashboard Cite

The electronic structure and the anisotropy of the AlN and chemical bonding of wurtzite AlN has been investigated by bulk-sensitive total fluorescence yield absorption and soft x-ray emission spectroscopies. The measured N K, Al L 1 , and Al L 2,3 x-ray emission and N 1s x-ray absorption spectra are compared with calculated spectra using first-principles density-functional theory including dipole transition matrix elements. The main N 2p-Al 3p-Al 3d and N 2p-Al 3s hyridization regions are identified at −1.0 to −1.8 eV and −5.0 to −5.5 eV below the top of the valence band, respectively. In addition, N 2s-Al 3p and N 2s-Al 3s hybridization regions are found at the bottom of the valence band around −13.5 and −15 eV, respectively. A strongly modified spectral shape of Al 3s states in the Al L 2,3 emission from AlN in comparison to Al metal is found, which is also reflected in the N 2p-Al 3p hybridization observed in the Al L 1 emission. The differences between the electronic structure and chemical bonding of AlN and Al metal are discussed in relation to the position of the hybridization regions and the valence-band edge influencing the magnitude of the large band gap.

show abstract

Section: Resultsmentioning

confidence: 99%

Electronic structure and chemical bonding anisotropy investigation of wurtzite AlN

et al. 2009

Self Cite

View full text Add to dashboard Cite

show abstract

“…7 The electronic structure of CeB 6 has been subjected to many experimental investigations. Various spectroscopic [8][9][10] as well as diffraction techniques 11,12 have been applied. These previous experimental works, however, did not lead to the same conclusions, showing wide discrepancies.…”

Section: Introductionmentioning

confidence: 99%

Resonant inelastic x-ray scattering of CeB6 at the Ce L1- and L3-edges

Liu

Sham

Hayashi

et al. 2012

The Journal of Chemical Physics

View full text Add to dashboard Cite

We report a resonant inelastic x-ray scattering (RIXS) study of crystalline CeB(6). Ce L(α1,2) RIXS was measured with excitation energies resonant with the Ce L(3)-edge. A lifetime-broadening suppressed x-ray absorption near-edge structure (LBS-XANES), which successfully reproduced the L(α1,2) RIXS spectra over wide ranges of excitation and emission energies, was simulated using the SIM-RIXS program. A pre-edge structure in the LBS-XANES can be resolved, and many-body effects were suggested in the L(α1,2) RIXS around the Ce L(3)-edge energy. No convincing signs of Ce (II) or Ce (IV) states were observed in the LBS-XANES. Ce L(γ4) RIXS was measured at 302 K and 28 K with excitation energies across the Ce L(1)-edge. The interactions of p-valence electrons between Ce and B(6) were found to be considerably small, regardless of temperature. Thus, the electronic state of CeB(6) was concluded to be suitably described as a nominally Ce(4f(1))(3+)(e(-))(B(6))(2-) system with some hybridization among all valence orbitals of Ce and B.

show abstract

“…Note that elastic-scattering peaks are not only observed for Sc 3 AlN and ScN, but, although weaker, also for pure Sc metal, which is generally not the case for noncorrelated wide-band transition-metal systems in this experimental geometry. 8 The presence of elastic scattering in pure Sc metal is a signature of localized excitations and electron correlations as normally observed for rare-earth materials 21 and transition-metal oxides. 22 On the other hand, the absence of dispersing resonant inelastic x-ray scattering ͑RIXS͒ features following below the elastic peaks in all the SXE spectra is a signature of nonionic systems with mainly delocalized electrons.…”

Section: A Sc L 23 and N K X-ray Emissionsmentioning

confidence: 99%

Electronic structure investigation of the cubic inverse perovskiteSc3AlN

Magnuson

Mattesini²,

Höglund³

et al. 2008

Phys. Rev. B

View full text Add to dashboard Cite

The electronic structure and chemical bonding of the recently discovered inverse perovskite Sc 3 AlN, in comparison to those of ScN and Sc metal, have been investigated by bulk-sensitive soft-x-ray emission spectroscopy. The measured Sc L, N K, Al L 1 , and Al L 2,3 emission spectra are compared with calculated spectra using first-principles density-functional theory including dipole transition-matrix elements. The main Sc 3d -N 2p and Sc 3d -Al 3p chemical bond regions are identified at −4 and −1.4 eV below the Fermi level, respectively. A strongly modified spectral shape of 3s states in the Al L 2,3 emission from Sc 3 AlN in comparison to that for pure Al metal is found, which reflects the Sc 3d -Al 3p hybridization observed in the Al L 1 emission. The differences between the electronic structures of Sc 3 AlN, ScN, and Sc metal are discussed in relation to the change in the conductivity and elastic properties.

show abstract

Electronic-structure investigation ofCeB6by means of soft-x-ray scattering

Cited by 27 publications

References 34 publications

Electronic structure and chemical bonding anisotropy investigation of wurtzite AlN

Electronic structure and chemical bonding anisotropy investigation of wurtzite AlN

Resonant inelastic x-ray scattering of CeB6 at the Ce L1- and L3-edges

Electronic structure investigation of the cubic inverse perovskiteSc3AlN

Contact Info

Product

Resources

About