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

Abstract

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]
  1. Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom)
  2. Cardiff Catalysis Institute (CCI), School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT (United Kingdom)
  3. School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland)
Publication Date:
OSTI Identifier:
22253145
Resource Type:
Journal Article
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 103; Journal Issue: 26; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0003-6951
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

Citation Formats

Scanlon, David O., E-mail: d.scanlon@ucl.ac.uk, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, Regoutz, Anna, Egdell, Russell G., Morgan, David J., and Watson, Graeme W. Band gap engineering of In{sub 2}O{sub 3} by alloying with Tl{sub 2}O{sub 3}. United States: N. p., 2013. Web. doi:10.1063/1.4860986.
Scanlon, David O., E-mail: d.scanlon@ucl.ac.uk, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, Regoutz, Anna, Egdell, Russell G., Morgan, David J., & Watson, Graeme W. Band gap engineering of In{sub 2}O{sub 3} by alloying with Tl{sub 2}O{sub 3}. United States. https://doi.org/10.1063/1.4860986
Scanlon, David O., E-mail: d.scanlon@ucl.ac.uk, Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, Regoutz, Anna, Egdell, Russell G., Morgan, David J., and Watson, Graeme W. 2013. "Band gap engineering of In{sub 2}O{sub 3} by alloying with Tl{sub 2}O{sub 3}". United States. https://doi.org/10.1063/1.4860986.
@article{osti_22253145,
title = {Band gap engineering of In{sub 2}O{sub 3} by alloying with Tl{sub 2}O{sub 3}},
author = {Scanlon, David O., E-mail: d.scanlon@ucl.ac.uk and Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE and Regoutz, Anna and Egdell, Russell G. and Morgan, David J. and Watson, Graeme W.},
abstractNote = {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}.},
doi = {10.1063/1.4860986},
url = {https://www.osti.gov/biblio/22253145}, journal = {Applied Physics Letters},
issn = {0003-6951},
number = 26,
volume = 103,
place = {United States},
year = {Mon Dec 23 00:00:00 EST 2013},
month = {Mon Dec 23 00:00:00 EST 2013}
}