Theory of clusterization in orbitally degenerate transition-metal compounds driven by lattice instabilities (opens in new tab)

We derive an effective orbital-lattice model with quantum $S=1$ degrees of freedom for transition-metal compounds, providing a microscopic understanding of cluster formation driven by the cooperative interplay of spin, orbital, and lattice degrees of freedom. Motivated by the trimerized phases observed in LiVS$_2$ and LiVO$_2$, we consider a triangular-lattice three-orbital system with two electrons per site occupying the threefold-degenerate $t...