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Proceedings Paper

Impact of point defects on electrochromism in WO3
Author(s): Wennie Wang; Hartwin Peelaers; Jimmy-Xuan Shen; Anderson Janotti; Chris G. Van de Walle
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Paper 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.

Paper Details

Date Published: 23 February 2018
PDF: 10 pages
Proc. SPIE 10533, Oxide-based Materials and Devices IX, 105332C (23 February 2018); doi: 10.1117/12.2303688
Show Author Affiliations
Wennie Wang, Univ. of California, Santa Barbara (United States)
Hartwin Peelaers, Univ. of California, Santa Barbara (United States)
Jimmy-Xuan Shen, Univ. of California, Santa Barbara (United States)
Anderson Janotti, Univ. of Delaware (United States)
Chris G. Van de Walle, Univ. of California, Santa Barbara (United States)

Published in SPIE Proceedings Vol. 10533:
Oxide-based Materials and Devices IX
David J. Rogers; David C. Look; Ferechteh H. Teherani, Editor(s)

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