LaVO$_3$: a true Kugel-Khomskii system

TL;DR

This paper demonstrates that LaVO$_3$ exhibits a Kugel-Khomskii orbital-ordering phase transition driven by super-exchange interactions, contrasting with typical crystal-field dominated behavior, and compares it with related vanadates and titanates.

Contribution

It reveals LaVO$_3$ as a rare example of a Kugel-Khomskii system where orbital ordering is driven by super-exchange rather than crystal-field effects, supported by theoretical analysis.

Findings

LaVO$_3$ hosts a Kugel-Khomskii orbital-ordering transition.

Magnetic transition occurs near or above the orbital-ordering temperature.

Crystal-field effects suppress the Kugel-Khomskii transition in related materials.

Abstract

We show that the $t_{2g}^2$ perovskite LaVO$_3$, in its orthorhombic phase, is a rare case of a system hosting an orbital-ordering Kugel-Khomskii phase transition, rather than being controlled by the Coulomb-enhanced crystal-field splitting. We find that, as a consequence of this, the magnetic transition is close to (and even above) the super-exchange driven orbital-ordering transition, whereas typically magnetism arises at much lower temperatures than orbital ordering. Our results support the experimental scenario of orbital-ordering and G-type spin correlations just above the monoclinic-to-orthorhombic structural change. To explore the effects of crystal-field splitting and filling, we compare to YVO$_3$ and $t_{2g}^1$ titanates. In all these materials the crystal-field is sufficiently large to suppress the Kugel-Khomskii phase transition.