[Zurück]

D. Mosca, L. Pourovskii, B. Kim, P. Liu, S. Sanna, F. Boscherini, S. Khmelevskyi, C. Franchini:
"Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a Jeff=3/2 insulator";
Physical Review B, 103 (2021), 104401.

In this work, we study the complex entanglement between spin interactions, electron correlation, and
Janh-Teller structural instabilities in the 5d1 Jeff = 23 spin-orbit coupled double perovskite Ba2NaOsO6 us-
ing 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.

http://dx.doi.org/10.1103/PhysRevB.103.104401

https://publik.tuwien.ac.at/files/publik_302169.pdf