Full multiple scattering analysis of XANES at the CdL3 and OK edges in CdO films combined with a soft-x-ray emission investigation

I. N. Demchenko, J. D. Denlinger, M. Chernyshova, K. M. Yu, D. T. Speaks, P. Olalde-Velasco, O. Hemmers, W. Walukiewicz, A. Derkachova, and K. Lawniczak-Jablonska
Phys. Rev. B 82, 075107 – Published 5 August 2010

Abstract

X-ray absorption near edge structure (XANES) at the cadmium L3 and oxygen K edges for CdO thin films grown by pulsed laser deposition method, is interpreted within the real-space multiple scattering formalism, FEFF code. The features in the experimental spectra are well reproduced by calculations for a cluster of about six and ten coordination shells around the absorber for L3 edge of Cd and K edge of O, respectively. The calculated projected electronic density of states is found to be in good agreement with unoccupied electronic states in experimental data and allows to conclude that the orbital character of the lowest energy of the conductive band is Cd5s-O2pσ. The charge transfer has been quantified and not purely ionic bonding has been found. Combined XANES and resonant inelastic x-ray scattering measurements allow us to determine the direct and indirect band gap of investigated CdO films to be 2.4eV and 0.9eV, respectively.

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  • Received 19 March 2010

DOI:https://doi.org/10.1103/PhysRevB.82.075107

©2010 American Physical Society

Authors & Affiliations

I. N. Demchenko1,2,3, J. D. Denlinger2, M. Chernyshova4, K. M. Yu2, D. T. Speaks2,5, P. Olalde-Velasco2,6, O. Hemmers1, W. Walukiewicz2, A. Derkachova3, and K. Lawniczak-Jablonska3

  • 1Department of Chemistry, University of Nevada–Las Vegas, 4505 Maryland Parkway, P.O. Box 454003, Las Vegas, Nevada 89154-4003, USA
  • 2Lawrence Berkeley National Laboratory, 1 Cyclotron Rd., Berkeley, California 94720-8235, USA
  • 3Institute of Physics PAS, al. Lotnikow 32/46, 02-668 Warsaw, Poland
  • 4Institute of Plasma Physics and Laser Microfusion, 23 Hery Street, 01-497 Warsaw, Poland
  • 5Department of Materials Science and Engineering, University of California, Berkeley, California 94720, USA
  • 6Instituto de Ciencias Nucleares, UNAM, Mexico, Distrito Federal 04510, Mexico

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Issue

Vol. 82, Iss. 7 — 15 August 2010

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