Revisiting the Valence-Band and Core-Level Photoemission Spectra of NiO

M. Taguchi, M. Matsunami, Y. Ishida, R. Eguchi, A. Chainani, Y. Takata, M. Yabashi, K. Tamasaku, Y. Nishino, T. Ishikawa, Y. Senba, H. Ohashi, and S. Shin
Phys. Rev. Lett. 100, 206401 – Published 19 May 2008

Abstract

We have reexamined the valence-band (VB) and core-level electronic structure of NiO by means of hard and soft x-ray photoemission spectroscopies. The spectral weight of the lowest energy state was found to be enhanced in the bulk sensitive Ni 2p core-level spectrum. A configuration-interaction model including a bound state screening has shown agreement with the core-level spectrum and off- and on-resonance VB spectra. These results identify the lowest energy states in the core-level and VB spectra as the Zhang-Rice (ZR) doublet bound states, consistent with the spin-fermion model and recent ab initio calculations within dynamical mean-field theory. The results indicate that the ZR character first ionization (the lowest hole-addition) states are responsible for transport properties in NiO and doped NiO.

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  • Received 2 August 2007

DOI:https://doi.org/10.1103/PhysRevLett.100.206401

©2008 American Physical Society

Authors & Affiliations

M. Taguchi1, M. Matsunami1,*, Y. Ishida1, R. Eguchi1,*, A. Chainani1,2, Y. Takata1,2, M. Yabashi2,3, K. Tamasaku2, Y. Nishino2, T. Ishikawa2,3, Y. Senba3, H. Ohashi3, and S. Shin1,4

  • 1Soft X-ray Spectroscopy Lab, RIKEN SPring-8 Center, Sayo, Sayo, Hyogo 679-5148, Japan
  • 2Coherent X-ray Optics Lab, RIKEN SPring-8 Center, Sayo, Sayo, Hyogo 679-5148, Japan
  • 3JASRI/SPring-8, Sayo, Sayo, Hyogo 679-5198, Japan
  • 4Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan

  • *Present address: Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan.

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Vol. 100, Iss. 20 — 23 May 2008

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