Atomic Multiplet and Charge Transfer Effects in the Resonant Inelastic X-Ray Scattering (RIXS) Spectra at the Nickel L2,3 Edge of NiF2

  • J. Jimenez-Mier Instituto de Ciencias Nucleares, UNAM, 04510 Ciudad de México, México
  • P Olalde-Velasco Instituto de Física, Benemérita Universidad Autónoma de Puebla, Puebla, A. Postal J-48 Puebla, Puebla 72750, Mexico
  • P. De. La. Mora Facultad de Ciencias, UNAM, 04510 Ciudad de México, México
  • W.-L. Yang The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720, USA
  • J. Denlinger The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720, USA
Keywords: Core-level spectroscopies, RIXS, Nickel difluoride, Electronic structure

Abstract

Resonant inelastic x-ray scattering (RIXS) is used to study the electronic structure of NiF2, which is the most ionic of the nickel compounds. RIXS can be viewed as a coherent two-steps process involving the absorption and the emission of x-rays. The soft x-ray absorption spectrum (XAS) at the metal L2,3 edge indicate the importance of atomic multiplet effects. RIXS spectra at L2,3 contain clearly defined emission peaks corresponding to d-excited states of Ni2+ at energies few eV below the elastic emission, which is strongly suppressed. These results are confirmed by atomic multiplet calculations using the Kramers-Heisenberg formula for RIXS processes. For larger energy losses, the emission spectra have a broad charge-transfer peak that results from the decay of hybridized Ni(3d)-F(2p) valence states. This is confirmed by comparison of the absorption and emission spectra recorded at the nickel L and fluorine K edges with F p and Ni d partial density of states using LDA + U calculations.

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Published
2017-08-07
How to Cite
(1)
J. Jimenez-Mier; P Olalde-Velasco; P. De. La. Mora; W.-L. Yang; J. Denlinger. Atomic Multiplet and Charge Transfer Effects in the Resonant Inelastic X-Ray Scattering (RIXS) Spectra at the Nickel L2,3 Edge of NiF2 . J. Nucl. Phy. Mat. Sci. Rad. A. 2017, 5, 1-13.
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