Doping in perovskite stannates

ORAL

Abstract

The perovskite stannates (ASnO3 ; A = Ba, Sr, Ca) are being actively explored for potential
applications as transparent conducting oxides (TCOs) and in oxide electronics. To realize this
potential, doping needs to be controlled. Using first-principles hybrid density functional
calculations, we have performed comprehensive investigations of La donors as well as various
types of defects. We examine the impact on doping as a function of growth conditions and
impurity concentrations. For native defects, we investigate not only vacancies but also antisites.
Trends among the various materials in the family (BaSnO3, SrSnO3, and CaSnO3) are analyzed.
Our results identify optimum growth conditions for high n-type doping and identify defects that
are most likely to impact device properties.

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Presenters

  • Santosh KC

    University of California, Santa Barbara, CA 93106, USA

Authors

  • Santosh KC

    University of California, Santa Barbara, CA 93106, USA

  • Leigh Weston

    Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA, Energy Technologies Area, Lawrence Berkeley National Laboratory

  • Chris Van de Walle

    University of California, Santa Barbara, Materials Department, University of California, Santa Barbara, University of California, Santa Barbara, CA 93106, USA