Relativistic Spin-Lattice Interaction Compatible with Discrete Translation Symmetry in Solids

Abstract

Recent interest in orbital angular momentum has led to a rapid expansion of research on spin-orbit coupling effects in solids, while also highlighting significant technical challenges. The breaking of rotational symmetry renders the orbital angular momentum operator ill defined, causing conceptual and computational issues in describing orbital motion. To address these issues, here we propose an alternative framework. Based on the Bloch representation of the full relativistic interaction, we derive a field that directly couples to electron spins while preserving discrete translational symmetry, thereby eliminating the need for the position operator. Our approach is fully compatible with existing first-principles computational frameworks for both static and time-dependent density functional theory. We demonstrate that this method offers a more effective description of the Edelstein and spin Hall effects compared to conventional orbital angular momentum formalisms.