Valence-band electronic structure of CdO, ZnO, and MgO from x-ray photoemission spectroscopy and quasi-particle-corrected density-functional theory calculations

P. D. C. King, T. D. Veal, A. Schleife, J. Zúñiga-Pérez, B. Martel, P. H. Jefferson, F. Fuchs, V. Muñoz-Sanjosé, F. Bechstedt, and C. F. McConville
Phys. Rev. B 79, 205205 – Published 12 May 2009

Abstract

The valence-band density of states of single-crystalline rock-salt CdO(001), wurtzite c-plane ZnO, and rock- salt MgO(001) are investigated by high-resolution x-ray photoemission spectroscopy. A classic two-peak structure is observed in the VB-DOS due to the anion 2p-dominated valence bands. Good agreement is found between the experimental results and quasi-particle-corrected density-functional theory calculations. Occupied shallow semicore d levels are observed in CdO and ZnO. While these exhibit similar spectral features to the calculations, they occur at slightly higher binding energies, determined as 8.8 eV and 7.3 eV below the valence band maximum in CdO and ZnO, respectively. The implications of these on the electronic structure are discussed.

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  • Received 13 January 2009

DOI:https://doi.org/10.1103/PhysRevB.79.205205

©2009 American Physical Society

Authors & Affiliations

P. D. C. King1,*, T. D. Veal1, A. Schleife2, J. Zúñiga-Pérez3, B. Martel3, P. H. Jefferson1, F. Fuchs2, V. Muñoz-Sanjosé4, F. Bechstedt2, and C. F. McConville1,†

  • 1Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom
  • 2Institut für Festkörpertheorie und -Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, D-07743 Jena, Germany
  • 3Centre de Recherche sur l’Hétéro-Epitaxie et ses Applications, Centre National de la Recherche Scientifique, Parc de Sophia Antipolis, Rue Bernard Grégory, 06560 Valbonne, France
  • 4Departamento de Fisica Aplicada y Electromagnetismo, Universitat de Valéncia, C/Dr. Moliner 50, 46100 Burjassot, Spain

  • *philip.d.c.king@physics.org
  • c.f.mcconville@warwick.ac.uk

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Issue

Vol. 79, Iss. 20 — 15 May 2009

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