Resonant Inelastic X-Ray Scattering at the Oxygen K Resonance of NiO: Nonlocal Charge Transfer and Double-Singlet Excitations

L.-C. Duda, T. Schmitt, M. Magnuson, J. Forsberg, A. Olsson, J. Nordgren, K. Okada, and A. Kotani
Phys. Rev. Lett. 96, 067402 – Published 16 February 2006

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 Δ and the Hund coupling energy JH.

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  • Received 7 July 2005

DOI:https://doi.org/10.1103/PhysRevLett.96.067402

©2006 American Physical Society

Authors & Affiliations

L.-C. Duda, T. Schmitt*, M. Magnuson, J. Forsberg, A. Olsson, and J. Nordgren

  • Department of Physics, Uppsala University, P.O. Box 530, S-751 21 Uppsala, Sweden

K. Okada1 and A. Kotani2,3

  • 1The Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530, Japan
  • 2RIKEN/Spring8,1-1-1 Kouto, Mikazuki-cho, Saya-gun, Hyogo 679-5148, Japan
  • 3Photon Factory, IMSS, High Energy Accelerator Research Organization, 1-1 Oho Tsukuba, Ibaragi 305-0801, Japan

  • *Permanent address: Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland.

Comments & Replies

Comment on “Resonant Inelastic X-Ray Scattering at the Oxygen K Resonance of NiO: Nonlocal Charge Transfer and Double-Singlet Excitations”

Stefan Hüfner, Stefan Schmidt, and Frank Müller
Phys. Rev. Lett. 97, 269701 (2006)

Duda et al. Reply:

L.-C. Duda, T. Schmitt, M. Magnuson, J. Forsberg, A. Olsson, J. Nordgren, K. Okada, and A. Kotani
Phys. Rev. Lett. 97, 269702 (2006)

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Vol. 96, Iss. 6 — 17 February 2006

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