Physical spin torques from exactly constrained exchange-correlation torques
Abstract
The problem of capturing physical spin torques in non-collinear magnetic systems has dominated the scene of spin-density functional theory (SDFT) in the last two decades. Progress has been hindered by the fact that the spin torque is directly connected to the divergence of the spin current, a quantity that is {\em extraneous} to SDFT -- thus leading to {\em spurious} exchange-correlation (xc) torques in the spin dynamics. Moreover, SDFT cannot rigorously include vector potentials and spin-orbit couplings. Here, we propose a solution that exploits the U(1)SU(2)-invariance of the xc energy of SpinCurrent-DFT (SCDFT) -- an exact constraint that is not accessible to SDFT. Non-vanishing xc torques obtained on non-collinear solutions are constrained by the aforementioned exact internal symmetry and do not enter the propagation of the spin magnetization -- i.e., the spin dynamics involve {\em only} the physical currents and physical spin-torques.
Keywords
Cite
@article{arxiv.2506.19458,
title = {Physical spin torques from exactly constrained exchange-correlation torques},
author = {Jacques K. Desmarais and Kamel Bencheikh and Giovanni Vignale and Stefano Pittalis},
journal= {arXiv preprint arXiv:2506.19458},
year = {2026}
}
Comments
link to published article https://link.aps.org/doi/10.1103/lt1f-8pz2