- Open Access
Origin of Transitions Inversion in Rare-Earth Vanadates
Phys. Rev. Lett. 135, 026508 – Published 11 July, 2025
DOI: https://doi.org/10.1103/qvp2-jn9p
Abstract
In correlated transition-metal oxides, orbital-ordering appears to always precede magnetic ordering (). The series is the exception: it exhibits an inversion of and with increasing rare-earth radius . Why vanadates are different is not understood. Here we show that the reason is fundamental: when lattice effects dominate orbital physics, magnetic order follows orbital order, and thus . This is what happens in most transition-metal oxides, and it is what quenches exotic quantum orbital phases. In the series, however, lattice effects become ineffective with increasing , while, at the same time, for antiferromagnetic spin order, the orbital-independent dipolar spin-spin interaction dominates. This has consequences well beyond the series itself. In fact, the subtle balance of interactions leading to the inversion not only explains why it is so rare, but also gives the criteria for finding it in other materials. The mechanism behind transitions inversion makes such systems an ideal playground for studying unconventional orbital phases. The results presented here rely on the decomposition of the order parameter into irreducible tensors, which allows us to identify the mechanism driving the transition.
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We define and two neighboring sites in one layer and and the corresponding ones in the layer above, with on top of , in the -type structure; if is the hole orbital at site , the hole orbitals at the other sites are , , and , respectively. In the monoclinic case, maximizes the energy gain for and in the PM phase.
For a given spin rank , there are only two independent saturation () values. This is because, for a specific hole orbital, , depend on two variables only, and [46]. These constraints do not hold at finite temperature, however.
The CF can affect more for C-type than G-type magnetic order.
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