Electronic structure of In2 O3 and Sn-doped In 2 O3 by hard x-ray photoemission spectroscopy

C. Körber, V. Krishnakumar, A. Klein, G. Panaccione, P. Torelli, Aron Walsh, J. L.F. Da Silva, S. H. Wei, R. G. Egdell, D. J. Payne

Research output: Contribution to journalArticle

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Abstract

The valence and core levels of In2 O3 and Sn-doped In2 O3 have been studied by hard x-ray photoemission spectroscopy (hν=6000 eV) and by conventional AlKα (hν=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 hν=1486.6 eV for both undoped and Sn-doped In2 O3 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=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 In2 O3. This conclusion is in accord with the fact that a conduction band feature observed for undoped In2 O 3 in AlKα x-ray photoemission is much weaker than expected in hard x-ray photoemission.

Original languageEnglish
Article number165207
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume81
Issue number16
DOIs
Publication statusPublished - 2010 Apr 27

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Photoelectron spectroscopy
Electronic structure
photoelectric emission
electronic structure
X rays
Photoemission
Conduction bands
spectroscopy
line spectra
conduction bands
x rays
valence
Core levels
electronic levels
shoulders
Valence bands
excitation
Density functional theory
density functional theory

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Körber, C. ; Krishnakumar, V. ; Klein, A. ; Panaccione, G. ; Torelli, P. ; Walsh, Aron ; Da Silva, J. L.F. ; Wei, S. H. ; Egdell, R. G. ; Payne, D. J. / Electronic structure of In2 O3 and Sn-doped In 2 O3 by hard x-ray photoemission spectroscopy. In: Physical Review B - Condensed Matter and Materials Physics. 2010 ; Vol. 81, No. 16.
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abstract = "The valence and core levels of In2 O3 and Sn-doped In2 O3 have been studied by hard x-ray photoemission spectroscopy (hν=6000 eV) and by conventional AlKα (hν=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 hν=1486.6 eV for both undoped and Sn-doped In2 O3 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=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 In2 O3. This conclusion is in accord with the fact that a conduction band feature observed for undoped In2 O 3 in AlKα x-ray photoemission is much weaker than expected in hard x-ray photoemission.",
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Körber, C, Krishnakumar, V, Klein, A, Panaccione, G, Torelli, P, Walsh, A, Da Silva, JLF, Wei, SH, Egdell, RG & Payne, DJ 2010, 'Electronic structure of In2 O3 and Sn-doped In 2 O3 by hard x-ray photoemission spectroscopy', Physical Review B - Condensed Matter and Materials Physics, vol. 81, no. 16, 165207. https://doi.org/10.1103/PhysRevB.81.165207

Electronic structure of In2 O3 and Sn-doped In 2 O3 by hard x-ray photoemission spectroscopy. / Körber, C.; Krishnakumar, V.; Klein, A.; Panaccione, G.; Torelli, P.; Walsh, Aron; Da Silva, J. L.F.; Wei, S. H.; Egdell, R. G.; Payne, D. J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 81, No. 16, 165207, 27.04.2010.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Electronic structure of In2 O3 and Sn-doped In 2 O3 by hard x-ray photoemission spectroscopy

AU - Körber, C.

AU - Krishnakumar, V.

AU - Klein, A.

AU - Panaccione, G.

AU - Torelli, P.

AU - Walsh, Aron

AU - Da Silva, J. L.F.

AU - Wei, S. H.

AU - Egdell, R. G.

AU - Payne, D. J.

PY - 2010/4/27

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N2 - The valence and core levels of In2 O3 and Sn-doped In2 O3 have been studied by hard x-ray photoemission spectroscopy (hν=6000 eV) and by conventional AlKα (hν=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 hν=1486.6 eV for both undoped and Sn-doped In2 O3 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=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 In2 O3. This conclusion is in accord with the fact that a conduction band feature observed for undoped In2 O 3 in AlKα x-ray photoemission is much weaker than expected in hard x-ray photoemission.

AB - The valence and core levels of In2 O3 and Sn-doped In2 O3 have been studied by hard x-ray photoemission spectroscopy (hν=6000 eV) and by conventional AlKα (hν=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 hν=1486.6 eV for both undoped and Sn-doped In2 O3 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=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 In2 O3. This conclusion is in accord with the fact that a conduction band feature observed for undoped In2 O 3 in AlKα x-ray photoemission is much weaker than expected in hard x-ray photoemission.

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