Spin dynamics via a time-dependent adiabatic GW method with spin-dependent interactions

ORAL

Abstract

We present a methodology for GW plus Bethe-Salpeter Equation (GW-BSE) calculations with the included effects of spin-dependent interactions. Using the spin-dependent Hedin equations [1], we are able to include the relativistic spin-spin and spin-orbit interactions of the Pauli-Breit Hamiltonian alongside the bare Coulomb interaction in calculating the dielectric matrix, self-energies, and BSE kernel matrix elements. With spin-dependent interactions included in the BSE kernel, we simulate spin dynamics after laser excitation within a time-dependent adiabatic GW (TD-aGW) method based on the real-time propagation of the interacting density matrix [2]. We discuss an application to the all-optical magnetization reversal by circularly polarized pulses in monolayer CrI3. In this phenomenon, the light pulse populates a bright exciton state with a large orbital moment, which couples to the lattice spins through spin-orbit coupling. Further applications in magnetic systems will be discussed.

[1] Aryasetiawan, F., & Biermann, S. (2009). J. Phys. Condens. Matter, 21(6), 064232.

[2] Chan, Y. H., Qiu, D. Y., da Jornada, F. H., & Louie, S. G. (2021). Proc. Natl. Acad. Sci. U.S.A., 118(25), e1906938118.

*This work was supported by the National Science Foundation and the U.S. Department of Energy.

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Presenters

  • Jack McArthur

    • University of California, Berkeley

Authors

  • Jack McArthur

    • University of California, Berkeley

  • Zhenglu Li

    • University of Southern California

  • Steven G Louie

    • University of California, Berkeley
    • University of California, Berkeley and Lawrence Berkeley National Lab
    • University of California, Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Department of Physics, University of California at Berkeley, Berkeley, CA, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA