Article
First-principles study of antisite defects in perovskite stannates
Journal of Applied Physics
(2019)
Abstract
The perovskite stannates BaSnO3 and SrSnO3 are being actively explored for applications as transparent conductors, in power or high-frequency electronics, and as channel materials in epitaxial integration with functional perovskites. Realizing these applications requires controlled n-type doping, i.e., avoiding the formation of compensating acceptor-type defects. Here, we use density-functional theory to examine the formation of cation antisite defects. Our results indicate that antisites are not a problem in BaSnO3; however, in SrSnO3, SrSn antisites may act as compensating centers.
Disciplines
Publication Date
November 15, 2019
DOI
10.1063/1.5126206
Publisher Statement
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Citation Information
Santosh KC, Andrew J. E. Rowberg, Leigh Weston and Chris G. Van de Walle. "First-principles study of antisite defects in perovskite stannates" Journal of Applied Physics Vol. 126 Iss. 19 (2019) ISSN: 0021-8979 Available at: http://works.bepress.com/santosh-kc/1/