Korber, C and Krishnakumar, V and Klein, A and Panaccione, G and Torelli, P and Walsh, A and Da Silva, JLF and Wei, SH and Egdell, RG and Payne, DJ (2010) Electronic structure of In2O3 and Sn-doped In2O3 by hard x-ray photoemission spectroscopy. PHYS REV B , 81 (16) , Article 165207. 10.1103/PhysRevB.81.165207.
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The valence and core levels of In2O3 and Sn-doped In2O3 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 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 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 In2O3. This conclusion is in accord with the fact that a conduction band feature observed for undoped In2O3 in Al K alpha x-ray photoemission is much weaker than expected in hard x-ray photoemission.
|Title:||Electronic structure of In2O3 and Sn-doped In2O3 by hard x-ray photoemission spectroscopy|
|Keywords:||PHOTOELECTRON ANGULAR-DISTRIBUTION, TRANSPARENT CONDUCTING OXIDES, TOTAL-ENERGY CALCULATIONS, INDIUM-TIN-OXIDE, WAVE BASIS-SET, OPTICAL-PROPERTIES, VOLPE PROJECT, TIN(IV) OXIDE, SURFACE, PARAMETERS|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry|
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