Orbital polarization in LiVO2 and NaTiO2

Abstract

We present a band structure study of orbital polarization and ordering in the two-dimensional triangular lattice transition metal compounds LiVO2 and NaTiO2. It is found that while in NaTiO2 the degeneracy of t2g orbitals is lifted due to the trigonal symmetry of the crystal and the strong on cite Coulomb interaction, in LiVO2 orbital degeneracy remains and orbital ordering corresponding to the trimerization of the two-dimensional lattice develops.

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