High antiferromagnetic transition temperature of a honeycomb compound SrRu${}_2$O${}_6$

Abstract

The high temperature magnetic order in SrRu${}_2$O${}_6$ was studied by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu${}_2$O${}_6$ crystallizes into the hexagonal lead antimonate (PbSb${}_2$O${}_6$, space group \textit{P}$\overline{3}$1\textit{m}) structure with layers of edge-sharing RuO${}_6$ octahedra separated by Sr${}^{2+}$ ions. SrRu${}_2$O${}_6$ orders at $T_N$=565\,K with Ru moments coupled antiferromagnetically both in-plane and out-of-plane. The magnetic moment is 1.30(2) ${\mu }_{\mathrm{B}}$/Ru at room temperature and is along the crystallographic \textit{c}-axis in the G-type magnetic structure. We performed density functional calculations with constrained RPA to obtain the electronic structure and effective intra- and inter-orbital interaction parameters. The projected density of states show strong hybridization between Ru 4$d$ and O 2$p$. By downfolding to the target $t_{2g}$ bands we extracted the effective magnetic Hamiltonian. We performed Monte Carlo simulations to determine the transition temperature as a function of inter- and intra-plane couplings and find weak inter plane coupling, 3\% of the intra-plane coupling, permits three dimensional magnetic order at $T_N$. As suggested by the magnetic susceptibility, two-dimensional correlations persist above $T_N$ due to the strong intra-plane coupling.

5 pages, 4 figures

References in corpus (4)

• Magnetically driven metal-insulator transition in NaOsO3
• Theory of High T${}_c$ Ferrimagnetism in a Multi-orbital Mott Insulator
• Antiferromagnetism at T > 500 K in the Layered Hexagonal Ruthenate SrRu2O6
• Electronic structure and the origin of the high ordering temperature in SrRu2O6

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