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

Journal Article · Mon Dec 23 00:00:00 EST 2013 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4860986· OSTI ID:22253145

Regoutz, Anna; Egdell, Russell G. ^[1]; Morgan, David J. ^[2]; Watson, Graeme W. ^[3]

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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)

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}.

• OSTI ID: 22253145
• Journal Information: Applied Physics Letters, Vol. 103, Issue 26; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CARRIER MOBILITY
CERAMICS
DOPED MATERIALS
ENGINEERING
INDIUM OXIDES
MODULATION
OPACITY
PHOTOEMISSION
SPECTROSCOPY
SURFACES
THIN FILMS
X RADIATION