Interplay between Lattice Distortion and Spin-Orbit Coupling in Double Perovskites

TL;DR

This paper develops anisotropic pseudo-spin models for monoclinically distorted double perovskites, analyzing how lattice distortions and spin-orbit coupling influence magnetic properties, and suggests La$_2$LiMoO$_6$ is near a disordered spin liquid state.

Contribution

It introduces new pseudo-spin-1/2 models incorporating lattice distortions and spin-orbit effects for double perovskites, solved via a saddle-point approach to explore magnetic phases.

Findings

La$_2$LiMoO$_6$ may order magnetically or be close to a spin liquid state.

Models show lattice distortions significantly affect magnetic interactions.

The approach connects structural distortions with quantum magnetic behavior.

Abstract

We develop anisotropic pseudo-spin antiferromagnetic Heisenberg models for monoclinically distorted double perovskites. We focus on these A$_2$BB'O$_6$ materials that have magnetic moments on the 4d or 5d transition metal B' ions, which form a face-centered cubic lattice. In these models, we consider local z-axis distortion of B'-O octahedra, affecting relative occupancy of $t_{2g}$ orbitals, along with geometric effects of the monoclinic distortion, and spin-orbit coupling. The resulting pseudo-spin-1/2 models are solved in the saddle-point limit of the Sp(N) generalization of the Heisenberg model. The spin S in the SU(2) case generalizes as a parameter $\kappa$ controlling quantum fluctuation in the Sp(N) case. We consider two different models that may be appropriate for these systems. In particular, using Heisenberg exchange parameters for La$_2$LiMoO$_6$ from a spin-dimer calculation, we conclude that this pseudo-spin-1/2 system may order, but must be very close to a disordered spin liquid state.