Literature DB >> 16606046

Resonant inelastic x-ray scattering at the oxygen K resonance of NiO: nonlocal charge transfer and double-singlet excitations.

L-C Duda1, T Schmitt, M Magnuson, J Forsberg, A Olsson, J Nordgren, K Okada, A Kotani.   

Abstract

We report high-resolution polarization-dependent resonant inelastic x-ray scattering (RIXS) at the O K resonance of NiO showing a rich excitation spectrum. We perform multisite Ni6O19 cluster model calculations, revealing that solid state effects are substantial. We identify a nonlocal charge transfer excitation at 4-5 eV and double-singlet creation at 1.75 eV, both exhibiting significant scattering geometry dependence. Apart from an intense band of local charge transfer excitations (above 5 eV) also dd excitations at 1 eV are observed. Finally, we point out that O K RIXS of correlated metal oxides allows a quantitative and consistent determination of the charge transfer energy delta and the Hund coupling energy J(H).

Entities:  

Year:  2006        PMID: 16606046     DOI: 10.1103/PhysRevLett.96.067402

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Oxygen K-edge X-ray Absorption Spectra.

Authors:  Federica Frati; Myrtille O J Y Hunault; Frank M F de Groot
Journal:  Chem Rev       Date:  2020-04-10       Impact factor: 60.622

2.  SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects.

Authors:  Oliver T Unke; Stefan Chmiela; Michael Gastegger; Kristof T Schütt; Huziel E Sauceda; Klaus-Robert Müller
Journal:  Nat Commun       Date:  2021-12-14       Impact factor: 14.919

  2 in total

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