Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a J eff = 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 ef f = 3 2 spin-orbit coupled double perovskite Ba2NaOsO6 using first principles approaches. By combining non-collinear magnetic calculations with mul...

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Veröffentlicht in:Physical review. B 2021-03, Vol.103 (10), Article 104401
Hauptverfasser: Fiore Mosca, Dario, Pourovskii, Leonid V., Kim, Beom Hyun, Liu, Peitao, Sanna, Samuele, Boscherini, Federico, Khmelevskyi, Sergii, Franchini, Cesare
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container_issue 10
container_start_page
container_title Physical review. B
container_volume 103
creator Fiore Mosca, Dario
Pourovskii, Leonid V.
Kim, Beom Hyun
Liu, Peitao
Sanna, Samuele
Boscherini, Federico
Khmelevskyi, Sergii
Franchini, Cesare
description In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d 1 J ef f = 3 2 spin-orbit coupled double perovskite Ba2NaOsO6 using first principles approaches. By combining non-collinear 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 non-collinear 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.
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Strongly Correlated Electrons
title Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a J eff = 3 2 insulator
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