Optimizing Density Functional Theory for Strain-Dependent Magnetic Properties of MnBi${}_2$Te${}_4$ with Diffusion Monte Carlo

Swarnava Ghosh, Jeonghwan Ann, Seoung-Hun Kang +6

In this study, we evaluate the predictive power of density functional theory (DFT) for the magnetic properties of MnBi\(_2\)Te\(_4\) (MBT), an intrinsically magnetic topological in…