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Title: Band gap engineering of In{sub 2}O{sub 3} by alloying with Tl{sub 2}O{sub 3}

Efficient modulation of the bandgap of In{sub 2}O{sub 3} will open up a route to improved electronic properties. We demonstrate using ab initio calculations that Tl incorporation into In{sub 2}O{sub 3} reduces the band gap and confirm that narrowing of the gap is observed by X-ray photoemission spectroscopy on ceramic surfaces. Incorporation of Tl does not break the symmetry of the allowed optical transitions, meaning that the doped thin films should retain optical transparency in the visible region, in combination with a lowering of the conduction band effective mass. We propose that Tl-doping may be an efficient way to increase the dopability and carrier mobility of In{sub 2}O{sub 3}.
Authors:
 [1] ;  [2] ; ;  [3] ;  [4] ;  [5]
  1. Kathleen Lonsdale Materials Chemistry, Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)
  2. (United Kingdom)
  3. Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom)
  4. Cardiff Catalysis Institute (CCI), School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT (United Kingdom)
  5. School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland)
Publication Date:
OSTI Identifier:
22253145
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 103; Journal Issue: 26; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CARRIER MOBILITY; CERAMICS; DOPED MATERIALS; ENGINEERING; INDIUM OXIDES; MODULATION; OPACITY; PHOTOEMISSION; SPECTROSCOPY; SURFACES; THIN FILMS; X RADIATION