Revelation of Mott insulating state in layered honeycomb lattice Li₂RuO₃

We investigate the role of electron correlation in the electronic structure of honeycomb lattice Li₂RuO₃using photoemission spectroscopy and band structure calculations. Monoclinic Li₂RuO₃having Ru network as honeycomb lattice undergoes magneto-structural transition atT_c∼ 540 K from high temperature phaseC2/mto low temperature dimerized phaseP2₁/m. Room temperature valence band photoemission spectra reveal an insulating ground state with no intensity at Fermi level (E_F). Ru 4dband extracted from high and low photon energy valence band photoemission spectra reveal that the surface and bulk electronic structures are very similar in this system. Band structure calculations using generalized gradient approximation leads to metallic ground state while screened hybrid (YS-PBE0) functional reveals opening up of a gap in almost degenerated/dorbitals, whereasdorbital is already gapped. Ru 3dcore level spectra with prominent unscreened feature provides direct evidence of strong electron correlation among Ru 4delectrons which is also manifested by |E-E_F|²dependence of spectral density of states in the vicinity ofE_Fin the high-resolution spectra, establishing Li₂RuO₃as Mott insulator.