Local-moment magnetism in Mn-based pnictides
Phys. Rev. B 113, 134434 – Published 21 April, 2026
DOI: https://doi.org/10.1103/yzkk-71cr
Abstract
We report a comprehensive study of electronic-correlation effects in manganese-based antiferromagnetic pnictides (, As, Sb, Bi). Our density functional theory plus slave-spin mean-field simulations indicate that all the compounds lie on the strong-coupling side of an itinerant-to-localized moment crossover, corresponding to the critical interaction strength for the Mott transition in the high-temperature paramagnetic phase. We also show that the experimental Néel temperature of each compound scales with the distance from this crossover.