Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a Jeff=3/2 insulator

In this work, we study the complex entanglement between spin interactions, electron correlation, and Janh-Teller structural instabilities in the 5d(1) J(eff) = 3/2 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.

Automated summary

In this work, the complex entanglement between spin interactions, electron correlation, and Janh-Teller structural instabilities in the 5d(1) J(eff) = 3/2 spin-orbit coupled double perovskite Ba2NaOsO6 is studied using first principles approaches. The origin of the observed quadrupolar canted antifferomagnetic is elucidated by combining noncollinear magnetic calculations with multipolar pseudospin Hamiltonian analysis and many-body techniques. It is found that the transition between different magnetic orders can be controlled by the strength of electronic correlation and the degree of Jahn-Teller distortions.