Influence of Spin-Orbit Coupling on Electron Mobility of WO<sub>3</sub>

ORAL

Abstract

High doping concentrations can be achieved in tungsten trioxide (WO3), which has an ABO3 perovskite structure with the A-site atom absent. Understanding the transport properties of these carriers is critical in many of display applications for which WO3 is used. With state-of-the-art first-principles calculations, we investigate the role of electron-phonon scattering in electron transport. We use density functional theory based on hybrid functionals to calculate electronic structure and vibrational spectra. A comparison of using analytical models versus ab initio methods is given, and the microscopic role of spin-orbit splitting in the scattering mechanism is examined.

*This work was supported by NSF and ONR.

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Presenters

  • Wennie Wang

    • Materials, Univ of California - Santa Barbara
    • Materials Department, Univ of California - Santa Barbara

Authors

  • Wennie Wang

    • Materials, Univ of California - Santa Barbara
    • Materials Department, Univ of California - Santa Barbara

  • Youngho Kang

    • Materials, Univ of California - Santa Barbara

  • Karthik Krishnaswamy

    • Electrical and Computer Engineering, Univ of California - Santa Barbara

  • Chris Van de Walle

    • University of California, Santa Barbara
    • Materials Department, Univ of California - Santa Barbara
    • Materials Department, University of California, Santa Barbara
    • Materials, Univ of California - Santa Barbara
    • Materials Department, University of California - Santa Barbara
    • Materials Department, University of California