New Type Phase Transition of Li2RuO3 with Honeycomb Structure

A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal to insulator)-like transition and the magnetic susceptibility also shows a sharp decrease. Detailed structure analyses have revealed that the high temperature space group C2/m changes to P21/m at Tc. The most striking fact is that a significant reduction of the bond lengths is found between two of six Ru-Ru pairs of the hexagon in the low temperature phase, indicating a new type phase transition by the mechanism of the formation of molecular orbits of these Ru-Ru pairs.