The magnetic interactions in the antiferromagnetic (AFM) Dirac semimetal candidate SrMnSb2 are investigated using \textit{ab initio} linear response theory and inelastic neutron scattering (INS). Our calculations reveal that the first two nearest in-plane couplings (J1 and J2) 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 J1 and J2 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 J1 and J2. To better compare with INS measurements, we calculate the spin wave spectra within a linear spin wave theory, utilizing the computed exchange parameters. Although the calculated spin wave spectra somewhat overestimate the magnon bandwidth, they exhibit overall good agreement with measurements from INS experiments.
@article{arxiv.2401.15572,
title = {Magnetic interactions and excitations in SrMnSb$_2$},
author = {Zhenhua Ning and Bing Li and Weilun Tang and Arnab Banerjee and Victor Fanelli and Doug Abernathy and Yong Liu and Benjamin G Ueland and Robert J. McQueeney and Liqin Ke},
journal= {arXiv preprint arXiv:2401.15572},
year = {2024}
}