| Recently many interesting phenomena have been discovered in spintronics triggered by spin-orbit coupling such as quantum spin-Hall effect, but so far spin-orbit coupling is treated within DFT-level and spin-orbit splitting is added in ad-hoc way to the GW quasiparticle energies. In order to treat spin-orbit coupling consistently in quasiparticle calculations, we present the extension of the GW approximation including spin-orbit coupling, based on generalized Hedin's equations proposed recently. Due to spin-orbit coupling the Green function and the self-energy are expressed as 2x2 matrix with respect to spin variables with non-zero off-diagonal matrix elements. We implemented this approach in the full-potential linearlized augmented plane-wave (FLAPW) GW code Spex. We will present theory and implementation details, and show the results of the quasiparticle energy of semiconductors and mercury chalcogenides. |
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