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American Physical Society, Physical review B, 10(92)

DOI: 10.1103/physrevb.92.100404

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High antiferromagnetic transition temperature of the honeycomb compoundSrRu2O6

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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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) $μ_\mathrm{B}$/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. ; Comment: 5 pages, 4 figures