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Orbital polarization in LiVO_2 and NaTiO_2

S. Yu. Ezhov·V. I. Anisimov·H. F. Pen·D. I. Khomskii·G. A. Sawatzky
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Abstract

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

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S. Yu. Ezhov, V. I. Anisimov, H. F. Pen, D. I. Khomskii, G. A. Sawatzky. 1997-12-18. Orbital polarization in LiVO_2 and NaTiO_2. https://doi.org/10.1209/epl%2Fi1998-00499-9

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