Local-moment magnetism in Mn-based pnictides
Matteo Crispino, Niklas Witt, Tommaso Gorni, Giorgio Sangiovanni, and Luca de' Medici
TL;DR
This study investigates the electronic correlations and magnetic properties of Mn-based pnictides, revealing their position on the strong-coupling side of a Mott transition and linking Ne9el temperatures to this crossover.
Contribution
It provides a comprehensive theoretical analysis of Mn-based pnictides, highlighting their strong-coupling magnetic behavior and the relationship between Ne9el temperature and electronic correlation strength.
Findings
All compounds are on the strong-coupling side of the Mott crossover.
Ne9el temperature scales with the distance from the Mott transition.
Electronic correlations significantly influence magnetic ordering.
Abstract
We report a comprehensive study of electronic-correlation effects in Manganese-based antiferromagnetic pnictides BaMnPn (Pn=P,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 N\'eel temperature of each compound scales with the distance from this crossover.
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