Calculation of spin triplet excitons in magnetic systems
Posted: Mon Sep 11, 2023 10:19 am
Dear all,
For a magnetic system, if its topmost valence band and the bottommost conduction band possess opposite spins , the exciton involved in these two bands must be spin-triplet. See https://journals.aps.org/prl/abstract/1 ... 124.166401 (Phys. Rev. Lett. 124, 166401). In this case, how do we accurate calculate the triplet exciton ? Do we need to take into account the SOC? Or set BSENGexx = 0 eV for spin polarization?
Thank You !
For a magnetic system, if its topmost valence band and the bottommost conduction band possess opposite spins , the exciton involved in these two bands must be spin-triplet. See https://journals.aps.org/prl/abstract/1 ... 124.166401 (Phys. Rev. Lett. 124, 166401). In this case, how do we accurate calculate the triplet exciton ? Do we need to take into account the SOC? Or set BSENGexx = 0 eV for spin polarization?
Thank You !