Quantum Versus Jahn-Teller Orbital Physics in YVO$_3$ and LaVO$_3$

TL;DR

This paper investigates the impact of Jahn-Teller distortions on orbital fluctuations and magnetic properties in YVO$_3$ and LaVO$_3$, emphasizing the role of structural effects over quantum orbital fluctuations.

Contribution

It demonstrates that large Jahn-Teller distortions suppress quantum orbital fluctuations and explains magnetic properties through LDA+$U$ calculations considering experimental structures.

Findings

Jahn-Teller distortions suppress quantum orbital fluctuations.

Spin-wave splitting in YVO$_3$ is due to structural inequivalence, not orbital Peierls state.

Predicted similar spin-wave splitting in LaVO$_3$.

Abstract

We argue that the large Jahn-Teller (JT) distortions in YVO$_3$ and LaVO$_3$ should suppress the quantum orbital fluctuation. The unusual magnetic properties can be well explained based on LDA+$U$ calculations using experimental structures, in terms of the JT orbital. The observed splitting of the spin-wave dispersions for YVO$_3$ in C-type antiferromagnetic state is attributed to the inequivalent VO$_2$ layers in the crystal structure, instead of the ``orbital Peierls state''. Alternative stacking of $ab$-plane exchange couplings produces the c-axis spin-wave splitting, thus the spin system is highly three dimensional rather than quasi-one-dimensional. Similar splitting is also predicted for LaVO$_3$, although it is weak.