Dear developers and users,
I am trying to calculate the spin polarized current flowing through magnetic junction MoS2/graphene/MoS2 with Co as electrodes (same system as discussed in Phys. Rev. B 103, 165407). For the spin up current (parallel to both Co electrode’s spins), the transmission function seems to retain its feature with increasing value of TBT.Contours.Eta, but the transmission function for spin down current varies greatly with it.
Does this imply my calculation with transiesta is actually problematic? Or is it normal to use an Eta as large as 100 meV in order to get converged results for tbtrans calculation?
tbtrans.fdf (2.1 KB)
I had attached the figures for transmission functions, and also input files for the calculation.
Thank you for your attention.
Best regards,
sukhito teh
siesta.fdf (16.9 KB)