Magnetotransport in semiconductors and two-dimensional materials from first-principles

ORAL

Abstract

Magnetic fields influence electrical transport in materials, with changes quantified by magnetotransport coefficients such as the magnetoresistance (MR), Hall mobility and Hall factor. In this talk, we present a first-principles method to study magnetotransport phenomena in materials by solving the Boltzmann transport equation (BTE) with ab-initio electron-phonon collisions in the presence of an external magnetic field [1]. We apply this approach to various semiconductors and two-dimensional (2D) materials, computing in each case the MR, Hall mobility and Hall factors. Our results are in very good agreement with experiments and shed light on the microscopic mechanisms governing magnetotransport.

We will also show an extension of our method to include the Berry curvature, which enables studies of magnetotransport in quantum materials with topologically non-trivial band structures. Magnetotransport results for a topological semimetal will be discussed.

*This work was supported by the National Science Foundation under Grant No. DMR-1750613. J.-J.Z. acknowledges partial support from the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, as follows: The development of some computational methods employed in this work was supported through the Office of Science of the US Department of Energy under Award No. DE-SC0004993. This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231.

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Publication: [1] D. C. Desai, B. Zviazhynski, J.-J. Zhou, and M. Bernardi, Phys. Rev. B 103, L161103 (2021).

Presenters

  • Dhruv C Desai

    • Department of Applied Physics and Materials Science, California Institute of Technology

Authors

  • Dhruv C Desai

    • Department of Applied Physics and Materials Science, California Institute of Technology

  • Bahdan Zviazhynski

    • Trinity College, University of Cambridge

  • Jin-Jian Zhou

    • School of Physics, Beijing Institute of Technology
    • Department of Applied Physics and Materials Science, California Institute of Technology
    • Caltech

  • Marco Bernardi

    • Department of Applied Physics and Materials Science, California Institute of Technology
    • Caltech
    • Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA