Interplay between multipolar spin interactions, Jahn-Teller effect and electronic correlation in a $J_{eff}=\frac{3}{2}$ insulator

Abstract

In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d${}^1$ $J_{eff}=\frac{3}{2}$ spin-orbit coupled double perovskite $\mathrm{B}{\mathrm{a}}_2\mathrm{NaOs}{\mathrm{O}}_6$ 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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• Ferro-octupolar order and low-energy excitations in d${}^2$ double perovskites of Osmium
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• The origin of magnetism in a supposedly nonmagnetic osmium oxide
• Competing multipolar orders in a face-centered cubic lattice: Application to the osmium double perovskites
• Modelling Magnetic Multipolar Phases in Density Functional Theory
• Spin-orbital Jahn-Teller bipolarons
• Hidden orders in spin-orbit entangled correlated insulators
• Interplay of superexchange and vibronic effects in the hidden order of Ba${}_2$MgReO${}_6$ from first principles
• Effects of charge doping on Mott insulator with strong spin-orbit coupling, Ba${}_2$NaOsO${}_6$
• The Mott transition in the 5d${}^1$ compound Ba${}_2$NaOsO${}_6:$ a DFT+DMFT study with PAW spinor projectors
• Material-based analysis of spin-orbital Mott insulators
• Multipolar interactions and magnetic excitation gap in d${}^3$ spin-orbit Mott insulators
• Dynamic Jahn-Teller Phenomena in Heavy Transition Metal Compounds
• Non-collinear magnetism engendered by a hidden another order
• Spin-orbit coupling induced orbital entanglement in a three-band Hubbard model
• Persistent quantum vibronic dynamics in a $5d^1$ double perovskite oxide
• Magnetic behavior of the $5d^1$ Re-based double perovskite Sr${}_2$ZnReO${}_6$
• Coupled-cluster approach to vibronic effects in resonant inelastic x-ray scattering of quantum materials: Application to a $5d^1$ rhenium oxide
• Polaron-driven switching of octupolar order in doped 5d${}^2$ double perovskite