Electronic structure of In2O3 and Sn-doped In2O3 by hard x-ray photoemission spectroscopy

C. Körber, V. Krishnakumar, A. Klein, G. Panaccione, P. Torelli, A. Walsh, J. L. F. Da Silva, S.-H. Wei, R. G. Egdell, and D. J. Payne
Phys. Rev. B 81, 165207 – Published 27 April 2010

Abstract

The valence and core levels of In2O3 and Sn-doped In2O3 have been studied by hard x-ray photoemission spectroscopy (hν=6000eV) and by conventional AlKα (hν=1486.6eV) x-ray photoemission spectroscopy. The experimental spectra are compared with density-functional theory calculations. It is shown that structure deriving from electronic levels with significant In or Sn 5s character is selectively enhanced under 6000 eV excitation. This allows us to infer that conduction band states in Sn-doped samples and states at the bottom of the valence band both contain a pronounced In 5s contribution. The In 3d core line measured at hν=1486.6eV for both undoped and Sn-doped In2O3 display an asymmetric lineshape, and may be fitted with two components associated with screened and unscreened final states. The In 3d core line spectra excited at hν=6000eV for the Sn-doped samples display pronounced shoulders and demand a fit with two components. The In 3d core line spectrum for the undoped sample can also be fitted with two components, although the relative intensity of the component associated with the screened final state is low, compared to excitation at 1486.6 eV. These results are consistent with a high concentration of carriers confined close to the surface of nominally undoped In2O3. This conclusion is in accord with the fact that a conduction band feature observed for undoped In2O3 in AlKα x-ray photoemission is much weaker than expected in hard x-ray photoemission.

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  • Received 10 December 2009

DOI:https://doi.org/10.1103/PhysRevB.81.165207

©2010 American Physical Society

Authors & Affiliations

C. Körber, V. Krishnakumar, and A. Klein

  • Darmstadt University of Technology, 64287 Darmstadt, Germany

G. Panaccione

  • Laboratorio TASC, INFM-CNR, Area Science Park, S.S. 14, Km 163.5, 34012 Trieste, Italy

P. Torelli

  • CNR-INFM-S3, Via Campi 213/A, I-41100 Modena, Italy

A. Walsh

  • Department of Chemistry, University College London, 20 Gordon Street, London WC1H, United Kingdom

J. L. F. Da Silva

  • Instituto de Fìsica de São Carlos, Universidade de São Paulo, Caixa Postal, 369, São Carlos 13560-970 SP, Brazil

S.-H. Wei

  • National Renewable Energy Laboratory, Golden, Colorado 80401, USA

R. G. Egdell and D. J. Payne

  • Department of Chemistry, Chemistry Research Laboratory, University of Oxford, Mansfield Road, Oxford OX1 3TA, United Kingdom

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Issue

Vol. 81, Iss. 16 — 15 April 2010

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