Equivariant Space Group and Hamiltonian for Collinear Magnetic Systems

Abstract

Condensed matter physics increasingly focuses on exploiting the magnetic order parameter orientation n as a tuning knob for properties of collinear magnetic materials, but a general method for constructing effective Hamiltonians with explicit n-dependence has been lacking. Here, we develop a symmetry-based framework, built on the equivariant space group, for constructing such Hamiltonians, termed equivariant magnetic Hamiltonians (EMHs). The resulting EMH lives in a higher-dimensional k-n space and exhibits unconventional symmetry actions and topological features. Using a 1D ferromagnetic chain and a 3D antiferromagnet as examples, we demonstrate that explicit n-dependence in EMHs enables the study of magnetic-dynamics-driven topological pumping, including even-integer charge pumping and a second-Chern-number-induced quantized pumping of surface anomalous Hall conductivity. Beyond model systems, we incorporate the framework into first-principles calculations to construct ab-initio EMHs that accurately capture the n-dependent band structures of real materials. The approach can also be generalized to non-collinear magnetic systems. Our work establishes a general framework for constructing EMHs and for exploring the rich physics arising from magnetic anisotropy and magnetic dynamics.