Magnetic and electrical anisotropy with correlation and orbital effects in dimerized honeycomb ruthenate Li${}_2$RuO${}_3$

Abstract

Li2RuO3 undergoes a structural transition at a relatively high temperature of 550 K with a distinct dimerization of Ru-Ru bonds on the otherwise isotropic honeycomb lattice. It exhibits a unique herringbone dimerization pattern with a largest ever reported value of the bond shrinkage of about ~ 0.5 Å. Despite extensive studies, both theoretical and experimental, however, its origin and its effect on physical properties still remain to be understood. In this work, using high quality single crystals we investigated the anisotropy of resistivity ($\rho$) and magnetic susceptibility ($\chi$) to find a very clear anisotropy: $\rho$${}_c\ast$ > $\rho$${}_b$ > $\rho$${}_a$ and $\chi$${}_b$ > $\chi$${}_a$ > $\chi$${}_c\ast$. For possible theoretical interpretations, we carried out density functional calculations to conclude that these anisotropic behavior is due to the correlation effects combined with the unique orbital structure and the dimerization of Ru 4d bands.

arXiv comment15 pages, 4 figures

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• Competing spin-orbital singlet states in the 4$d^4$ honeycomb ruthenate Ag${}_3$LiRu${}_2$O${}_6$
• Revelation of Mott insulating state in layered honeycomb lattice Li${}_2$RuO${}_3$
• Doping effects on the valence bond solid of Li${}_2$RuO${}_3$ with Mn substitution
• Effect of Ti-doping on the dimer transition in Lithium Ruthenate