The atomic and electronic structures of NiO(001)/Au(001) interfaces

Anton Visikovskiy, K. Mitsuhara, M. Hazama, M. Kohyama, Y. Kido

Research output: Contribution to journalArticle

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Abstract

The atomic and electronic structures of NiO(001)/Au(001) interfaces were analyzed by high-resolution medium energy ion scattering (MEIS) and photoelectron spectroscopy using synchrotron-radiation-light. The MEIS analysis clearly showed that O atoms were located above Au atoms at the interface and the inter-planar distance of NiO(001)/Au(001) was derived to be 2.30 ± 0.05 Å, which was consistent with the calculations based on the density functional theory (DFT). We measured the valence band spectra and found metallic features for the NiO thickness up to 3 monolayer (ML). Relevant to the metallic features, electron energy loss analysis revealed that the bandgap for NiO(001)/Au(001) reduced with decreasing the NiO thickness from 10 down to 5 ML. We also observed Au 4f lines consisting of surface, bulk, and interface components and found a significant electronic charge transfer from Au(001) to NiO(001). The present DFT calculations demonstrated the presence of an image charge beneath Ni atoms at the interface just like alkali-halide/metal interface, which may be a key issue to explain the core level shift and band structure.

Original languageEnglish
Article number144705
JournalJournal of Chemical Physics
Volume139
Issue number14
DOIs
Publication statusPublished - Oct 14 2013

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Crystal atomic structure
atomic structure
Electronic structure
electronic structure
Atoms
Density functional theory
Monolayers
Scattering
Ions
ion scattering
Alkali halides
Core levels
Photoelectron spectroscopy
Valence bands
Synchrotron radiation
Band structure
Charge transfer
Energy dissipation
density functional theory
Energy gap

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

The atomic and electronic structures of NiO(001)/Au(001) interfaces. / Visikovskiy, Anton; Mitsuhara, K.; Hazama, M.; Kohyama, M.; Kido, Y.

In: Journal of Chemical Physics, Vol. 139, No. 14, 144705, 14.10.2013.

Research output: Contribution to journalArticle

Visikovskiy, Anton ; Mitsuhara, K. ; Hazama, M. ; Kohyama, M. ; Kido, Y. / The atomic and electronic structures of NiO(001)/Au(001) interfaces. In: Journal of Chemical Physics. 2013 ; Vol. 139, No. 14.
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