First-principles calculation of LO phonon scattering in BaSnO$_3$

ORAL

Abstract

BaSnO$_3$ (BSO) has drawn interest owing to the recent discovery of high electron mobility, highest among the perovskite materials. In our theoretical work, we calculate the electron scattering rate due to LO phonon scattering from first-principles density functional calculations. The calculated mobility is much higher than the experimentally observed value, suggesting defect scattering as the primary limiting factor in currently grown BSO samples, and that reducing the defect density can enhance BSO’s mobility significantly.

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Authors

  • Karthik Krishnaswamy

    University of California, Santa Barbara, Univ of California - Santa Barbara

  • Burak Himmetoglu

    University of California, Santa Barbara

  • Anderson Janotti

    University of California, Santa Barbara

  • Chris G. Van de Walle

    University of California, Santa Barbara, Univ of California - Santa Barbara, Materials Department, University of California, Santa Barbara, Materials Department, UC Santa Barbara, UCSB, University of California Santa Barbara