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

Körber, C. and Krishnakumar, V. and Klein, Andreas and Panaccione, G. and Torelli, P. and Walsh, A. and Da Silva, J. L. F. and Wei, S.-H. and Egdell, R. G. and Payne, D. J. (2010):
Electronic structure of In2O3 and Sn-doped In2O3 by hard x-ray photoemission spectroscopy.
In: Physical Review B, p. 165207, 81, (16), ISSN 1098-0121, [Online-Edition: http://dx.doi.org/10.1103/PhysRevB.81.165207],
[Article]

Abstract

The valence and core levels of In(2)O(3) and Sn-doped In(2)O(3) have been studied by hard x-ray photoemission spectroscopy (hv = 6000 eV) and by conventional Al K alpha (hv = 1486.6 eV) 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 hv = 1486.6 eV for both undoped and Sn-doped In(2)O(3) 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 hv = 6000 eV 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 In(2)O(3). This conclusion is in accord with the fact that a conduction band feature observed for undoped In(2)O(3) in Al K alpha x-ray photoemission is much weaker than expected in hard x-ray photoemission.

Item Type: Article
Erschienen: 2010
Creators: Körber, C. and Krishnakumar, V. and Klein, Andreas and Panaccione, G. and Torelli, P. and Walsh, A. and Da Silva, J. L. F. and Wei, S.-H. and Egdell, R. G. and Payne, D. J.
Title: Electronic structure of In2O3 and Sn-doped In2O3 by hard x-ray photoemission spectroscopy
Language: English
Abstract:

The valence and core levels of In(2)O(3) and Sn-doped In(2)O(3) have been studied by hard x-ray photoemission spectroscopy (hv = 6000 eV) and by conventional Al K alpha (hv = 1486.6 eV) 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 hv = 1486.6 eV for both undoped and Sn-doped In(2)O(3) 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 hv = 6000 eV 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 In(2)O(3). This conclusion is in accord with the fact that a conduction band feature observed for undoped In(2)O(3) in Al K alpha x-ray photoemission is much weaker than expected in hard x-ray photoemission.

Journal or Publication Title: Physical Review B
Volume: 81
Number: 16
Uncontrolled Keywords: ITO In2O3 photoemission XPS
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Surface Science
DFG-Collaborative Research Centres (incl. Transregio)
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres
Zentrale Einrichtungen
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > D - Component properties
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > D - Component properties > Subproject D3: Function and fatigue of oxide electrodes in organic light emitting diodes
Date Deposited: 29 Oct 2011 08:08
Official URL: http://dx.doi.org/10.1103/PhysRevB.81.165207
Additional Information:

SFB 595 D3

Identification Number: doi:10.1103/PhysRevB.81.165207
Alternative keywords:
Alternative keywordsLanguage
PHOTOELECTRON ANGULAR-DISTRIBUTION; TRANSPARENT CONDUCTING OXIDES; TOTAL-ENERGY CALCULATIONS; INDIUM-TIN-OXIDE; WAVE BASIS-SET; OPTICAL-PROPERTIES; VOLPE PROJECT; TIN(IV) OXIDE; SURFACE; PARAMETERSEnglish
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