TY - JOUR
T1 - Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a Jeff= 32 insulator
AU - Fiore Mosca, Dario
AU - Pourovskii, Leonid V.
AU - Kim, Beom Hyun
AU - Liu, Peitao
AU - Sanna, Samuele
AU - Boscherini, Federico
AU - Khmelevskyi, Sergii
AU - Franchini, Cesare
N1 - Publisher Copyright:
© 2021 American Physical Society.
PY - 2021/3/1
Y1 - 2021/3/1
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/85102868995
U2 - 10.1103/PhysRevB.103.104401
DO - 10.1103/PhysRevB.103.104401
M3 - Article
AN - SCOPUS:85102868995
SN - 2469-9950
VL - 103
JO - Physical Review B
JF - Physical Review B
IS - 10
M1 - 104401
ER -