Spin-orbit coupling effects in excited-state phenomena: ab initio plane-wave-based GW and GW-BSE studies

ORAL

Abstract

The ab initio GW and GW-BSE methods based on many-body perturbation theory play an important role in understanding and predicting the electronic and optical properties of materials. And spin-orbit interaction introduces interesting spin physics and relativistic effects in materials such as III-V semiconductors and transition metal dichalcogenides that contain heavy elements. With full-spinor support in a plane-wave-based GW-BSE method, we study the effects of spin-orbit coupling in the quasiparticle and excitonic properties of several materials of current interest, including reduced dimensional systems.

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Authors

  • Meng Wu

    Physics Department, UC Berkeley and Lawrence Berkeley National Lab

  • Steven G. Louie

    Department of Physics, UC Berkeley and Lawrence Berkeley National Lab, UC Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley and Lawrence Berkeley National Lab, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Univ of California - Berkeley and Lawrence Berkeley National Lab