Orbital polarization in LiVO ₂ and NaTiO ₂

Abstract

We present a band structure study of orbital polarization and ordering in the\ntwo-dimensional triangular lattice transition metal compounds LiVO_2 and\nNaTiO_2. It is found that while in NaTiO_2 the degeneracy of t_{2g} orbitals is\nlifted due to the trigonal symmetry of the crystal and the strong on cite\nCoulomb interaction, in LiVO_2 orbital degeneracy remains and orbital ordering\ncorresponding to the trimerization of the two-dimensional lattice develops.\n