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Article
First-principles study of antisite defects in perovskite stannates
Journal of Applied Physics (2019)
  • Santosh KC, San Jose State University
  • Andrew J. E. Rowberg, University of California, Santa Barbara
  • Leigh Weston, Lawrence Berkeley National Laboratory
  • Chris G. Van de Walle, University of California, Santa Barbara
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.
Publication Date
November 15, 2019
DOI
10.1063/1.5126206
Publisher Statement
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Copyright © 2019, AIP Publishing LLC
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/