Probing the valence band structure of Cu2 O using high-energy angle-resolved photoelectron spectroscopy

Anneli Önsten, Martin Månsson, Thomas Claesson, Takayuki Muro, Tomohiro Matsushita, Tetsuya Nakamura, Toyohiko Kinoshita, Ulf O. Karlsson, Oscar Tjernberg

Research output: Contribution to journalArticlepeer-review

61 Citations (Scopus)

Abstract

We present angle-resolved photoemission data along the M-Γ-M direction from a Cu2 O (111) single crystal, collected at high photon energies (hν=619 and 891 eV) and T=100 K. Because of the high photon energies and effective background subtraction, our data give a clear picture of the bulk band structure. The results confirm the existence of a hybridized Cu 3d-Cu 4s state located between the two main Cu 3d and O 2p band regions. Several theoretical studies have predicted the existence of this band, but until now it has not been detected in any photoemission measurements. The experimentally derived band structure is compared to local density approximation calculations with and without the Hubbard potential U. The clear band dispersion in our experimental data has enabled us to extract a refined Hubbard U value, which makes it possible to achieve a better agreement between theoretically calculated bands and experimental data.

Original languageEnglish
Article number115127
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume76
Issue number11
DOIs
Publication statusPublished - 2007 Sep 26
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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