In this work, we study the complex entanglement between spin interactions, electron correlation, and Janh-Teller structural instabilities in the 5d1Jeff=32 spin-orbit coupled double perovskite Ba2NaOsO6 using first principles approaches. By combining noncollinear magnetic calculations with multipolar pseudospin Hamiltonian analysis and many-body techniques, we elucidate the origin of the observed quadrupolar canted antifferomagnetic. We show that the noncollinear magnetic order originates from Jahn-Teller distortions due to the cooperation of Heisenberg exchange, quadrupolar spin-spin terms, and both dipolar and multipolar Dzyaloshinskii-Moriya interactions. We find a strong competition between ferromagnetic and antiferromagnetic canted and collinear quadrupolar magnetic phases: the transition from one magnetic order to another can be controlled by the strength of the electronic correlation (U) and by the degree of Jahn-Teller distortions.
Fiore Mosca D., Pourovskii L.V., Kim B.H., Liu P., Sanna S., Boscherini F., et al. (2021). Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a Jeff= 32 insulator. PHYSICAL REVIEW. B, 103(10), 1-6 [10.1103/PhysRevB.103.104401].
Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a Jeff= 32 insulator
Fiore Mosca D.;Sanna S.;Boscherini F.;Franchini C.
Ultimo
Writing – Original Draft Preparation
2021
Abstract
In this work, we study the complex entanglement between spin interactions, electron correlation, and Janh-Teller structural instabilities in the 5d1Jeff=32 spin-orbit coupled double perovskite Ba2NaOsO6 using first principles approaches. By combining noncollinear magnetic calculations with multipolar pseudospin Hamiltonian analysis and many-body techniques, we elucidate the origin of the observed quadrupolar canted antifferomagnetic. We show that the noncollinear magnetic order originates from Jahn-Teller distortions due to the cooperation of Heisenberg exchange, quadrupolar spin-spin terms, and both dipolar and multipolar Dzyaloshinskii-Moriya interactions. We find a strong competition between ferromagnetic and antiferromagnetic canted and collinear quadrupolar magnetic phases: the transition from one magnetic order to another can be controlled by the strength of the electronic correlation (U) and by the degree of Jahn-Teller distortions.File | Dimensione | Formato | |
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