Magnetic interactions and excitations in SrMnSb_2

The magnetic interactions in the antiferromagnetic (AFM) Dirac semimetal candidate SrMnSb_2 are investigated using ab initio linear response theory and inelastic neutron scattering (INS). Our calculations reveal that the first two nearest in-plane couplings (J_1 and J_2) are both AFM in nature, indicating a significant degree of spin frustration, which aligns with experimental observations. The orbital resolution of exchange interactions shows that J_1 and J_2 are dominated by direct and superexchange, respectively. In a broader context, a rigid-band model suggests that electron doping fills the minority spin channel and results in a decrease in the AFM coupling strength for both J_1 and J_2. To better compare with INS experiments, we calculate the spin wave spectra within a linear spin wave theory framework, utilizing the computed exchange parameters. The calculated spin wave spectra exhibit overall good agreement with measurements from INS experiments, although with a larger magnon bandwidth. Introducing additional electron correlation within the Mn-3d orbitals can promote electron localization and reduce the magnetic coupling, further improving the agreement with experiments.