Magnetism and electronic structure of La2ZnIrO6 and La2MgIrO6: candidate Jeff =1/2 Mott insulators

Abstract

We study experimentally and theoretically the electronic and magnetic properties of two insulating double perovskites that show similar atomic and electronic structure, but different magnetic properties. In magnetization measurements, La2ZnIrO6 displays weak ferromagnetic behavior below 7.5 K whereas La2MgIrO6 shows antiferromagnetic behavior (AFM) below TN = 12 K. Electronic structure calculations find that the weak ferromagnetic behavior observed in La2ZnIrO6 is in fact due to canted antiferromagnetism. The calculations also predict canted antiferromagnetic behavior in La2MgIrO6, but intriguingly this was not observed. Neutron diffraction measurements confirm the essentially antiferromagnetic behavior of both systems, but lack the sensitivity to resolve the small (0.22 μB/Ir) ferromagnetic component in La2ZnIrO6. Overall, the results presented here indicate the crucial role of spin-orbit coupling (SOC) and the on-site Coulomb repulsion on the magnetic, transport, and thermodynamic properties of both compounds. The electronic structure calculations show that both compounds, like Sr2IrO4, are Jeff = 1/2 Mott insulators. Our present findings suggest that La2ZnIrO6 and La2MgIrO6 provide a new playground to study the interplay between SOC and on-site Coulomb repulsion in a 5d transition metal oxide.

27 pages, 8 figures. Accepted by Phys. Rev. B

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• Correlated Paramagnetism and Interplay of Magnetic and Phononic Degrees of Freedom in 3d-5d Coupled La2CuIrO6
• Study of Nontrivial Magnetism in 3$d$-5$d$ Transition Metal based Double Perovskites
• Neutron Scattering Investigation of Rhenium Orbital Ordering in $3d-5d$ Double Perovskite Ca${}_2$FeReO${}_6$
• Distinct magnetic ground states of $R_2$ZnIrO${}_6$ ($R$ = La and Nd) determined by neutron powder diffraction
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• Electronic reconstruction and charge transfer in strained Sr${}_2$CoIrO${}_6$ double perovskite
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