On the possibility of excitonic magnetism in Ir double perovskites

Abstract

We combine several numerical and semi-analytical methods to study the $5d$ double perovskites Sr2YIRO6 and Ba2YIRO6 which were recently proposed to exhibit excitonic magnetism. Starting from the density functional theory and constrained random phase approximation we construct effective multi-band Hubbard models. These are analyzed by means of static and dynamical mean-field theories and strong coupling expansion. We find both materials to be insulators, but, contrary to the experimental claims, with a large spin gap of several hundreds meV preventing formation of an ordered state at low temperature

arXiv comment7 pages, 6 figures

References in corpus (16)

• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• Novel Jeff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr2IrO4
• TRIQS: A Toolbox for Research on Interacting Quantum Systems
• Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
• TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridization Expansion Solver for Quantum Impurity Problems
• Excitonic Magnetism in Van Vleck-type d^4 Mott Insulators
• Novel magnetism of Ir5+ ions in the double perovskite Sr2YIrO6
• Local correlations and hole doping in NiO: a dynamical mean field study
• The magnetic excitation spectra in BaFe${}_2$As${}_2$: a two-particle approach within DFT+DMFT
• Crystal field with Wannier functions: Application to rare-earth aluminates
• Excitonic condensation of strongly correlated electrons: the case of Pr${}_{0.5}$Ca${}_{0.5}$CoO${}_3$
• Crystal field and magnetism of Pr${}^{3+}$ and Nd${}^{3+}$ ions in orthorhombic perovskites
• Phase diagram of exciton condensate in doped two-band Hubbard model
• Competing orders in Na${}_x$CoO${}_2$ from strong correlations on a two-particle level
• Spin-orbit-induced exotic insulators in a three-orbital Hubbard model with $(t_{2g}{)}^5$ electrons
• Soft spin-amplitude fluctuations in a Mott-insulating ruthenate

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• Probing the $J_{eff}=0$ ground state and the Van Vleck paramagnetism of the Ir${}^{5+}$ ions in the layered Sr${}_2$Co${}_{0.5}$Ir${}_{0.5}$O${}_4$
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• Calculated g-factors of 5d double perovskites Ba2NaOsO6 and Ba2YOsO6
• Spin-orbit effects in pentavalent Iridates: Models and materials
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• Temperature-induced valence-state transition in double perovskite Ba2-xSrxTbIrO6
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