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Proceedings Paper

Conductivity and transparency of TiO2 from first principles
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Paper Abstract

Titanium dioxide is a versatile material with ubiquitous applications, many of which are critically linked to either light absorption or transparency in the visible spectral range in addition to electrical conductivity. Doping is a well-known way to influence those properties in order to bring them into a desired range. Working towards a comprehensive understanding of the electronic and optical properties of TiO2 (as well as of the link between them) we review and summarize electronicstructure results that we obtained using cutting-edge theoretical spectroscopy techniques. We focus on the formation of electron and hole polarons and we elucidate the influence of doping on the optical properties of TiO2. In addition, we present new results for the reflectivity of pure TiO2.

Paper Details

Date Published: 16 September 2013
PDF: 9 pages
Proc. SPIE 8822, Solar Hydrogen and Nanotechnology VIII, 882205 (16 September 2013);
Show Author Affiliations
André Schleife, Lawrence Livermore National Lab. (United States)
Joel B. Varley, Lawrence Livermore National Lab. (United States)
Univ. of California, Santa Barbara (United States)
Anderson Janotti, Univ. of California, Santa Barbara (United States)
Chris G. Van de Walle, Univ. of California, Santa Barbara (United States)

Published in SPIE Proceedings Vol. 8822:
Solar Hydrogen and Nanotechnology VIII
Yosuke Kanai; David Prendergast, Editor(s)

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