Conductivity and transparency of TiO2 from first principles

André Schleife; Joel B. Varley; Anderson Janotti; Chris G. Van de Walle

doi:10.1117/12.2024566

16 September 2013 Conductivity and transparency of TiO₂ from first principles

André Schleife, Joel B. Varley, Anderson Janotti, Chris G. Van de Walle

Proceedings Volume 8822, Solar Hydrogen and Nanotechnology VIII; 882205 (2013) https://doi.org/10.1117/12.2024566
Event: SPIE Solar Energy + Technology, 2013, San Diego, California, United States

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.

Citation Download Citation

André Schleife, Joel B. Varley, Anderson Janotti, and Chris G. Van de Walle "Conductivity and transparency of TiO₂ from first principles", Proc. SPIE 8822, Solar Hydrogen and Nanotechnology VIII, 882205 (16 September 2013); https://doi.org/10.1117/12.2024566

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