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, S. Shin

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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.

Original languageEnglish
Article number206401
JournalPhysical review letters
Volume100
Issue number20
DOIs
Publication statusPublished - 2008 May 19

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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