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23 February 2018 Impact of point defects on electrochromism in WO3
Wennie Wang, Hartwin Peelaers, Jimmy-Xuan Shen, Anderson Janotti, Chris G. Van de Walle
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Proceedings Volume 10533, Oxide-based Materials and Devices IX; 105332C (2018) https://doi.org/10.1117/12.2303688
Event: SPIE OPTO, 2018, San Francisco, California, United States
Abstract
Using hybrid density functional theory, we investigate the influence on electronic structure of common defects and impurities in tungsten oxide (WO3). As an easily reducible perovskite with the A-site atom missing, high concentrations of foreign dopants and oxygen deficiencies are possible. Our calculations show that both oxygen vacancies and alkali dopants are shallow donors, and we explore the physical origins for this behavior. In particular, we examine whether oxygen vacancies can give rise to localized states or small polarons. Our results show that in crystalline material no such charge localization occurs. We discuss how these results impact electrical conductivity and optical properties.
© (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Wennie Wang, Hartwin Peelaers, Jimmy-Xuan Shen, Anderson Janotti, and Chris G. Van de Walle "Impact of point defects on electrochromism in WO3", Proc. SPIE 10533, Oxide-based Materials and Devices IX, 105332C (23 February 2018); https://doi.org/10.1117/12.2303688
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KEYWORDS
Doping

Lithium

Alkali metals

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