Résumé
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.
| langue originale | Anglais |
|---|---|
| Numéro d'article | 104401 |
| journal | Physical Review B |
| Volume | 103 |
| Numéro de publication | 10 |
| Les DOIs | |
| état | Publié - 1 mars 2021 |
| Modification externe | Oui |
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