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We present first principles calculations of the dynamic susceptibility instrained and doped ferromagnetic MnBi using time-dependent density functionaltheory. In spite of being a metal, MnBi exhibits signatures of strongcorrelation and a proper description in the framework of density functionaltheory requires Hubbard corrections to the Mn $d$-orbitals. To permitcalculations of the dynamic susceptibility with Hubbard corrections applied tothe ground state electronic structure, we use a consistent rescaling of theexchange-correlation kernel maintaining the delicate balance between the magnondispersion and the Stoner continuum. We find excellent agreement with theexperimentally observed magnon dispersion for pristine MnBi and show that thematerial undergoes a phase transition to helical order under application ofeither doping or strain. The presented methodology paves the way for futureLR-TDDFT studies of magnetic phase transitions, also for the wide range ofmaterials with pronounced static correlation effects that are not accounted forat the LDA level.

physical review materials

Influence of static correlation on the magnon dynamics of an itinerant  ferromagnet with competing exchange interactions -- a first principles study  of MnBi