Effect of spin-orbit coupling on spin and orbital ordering in Sr$_{n+1}$Cr$_n$O$_{3n+1}$, $n=1,2$

TL;DR

This study models the impact of spin-orbit coupling on spin and orbital orderings in Sr$_{n+1}$Cr$_n$O$_{3n+1}$ compounds, revealing dominant SOC effects in Sr$_{2}$CrO$_{4}$ and weaker effects in Sr$_{3}$Cr$_{2}$O$_{7}$.

Contribution

It introduces effective Kugel-Khomskii models incorporating SOC for specific compounds and analyzes their ground state properties.

Findings

SOC dominates the physics of Sr$_{2}$CrO$_{4}$ with decoupled planes.

In Sr$_{2}$CrO$_{4}$, spins are antiferromagnetically ordered with specific orbital configurations.

In Sr$_{3}$Cr$_{2}$O$_{7}$, SOC effects are weak, favoring pseudospin singlets and distinct magnetic orderings.

Abstract

We incorporate spin-orbit coupling (SOC) into effective Kugel-Khomskii models for the $n=1$ and $n=2$ members of the Ruddlesden-Popper series Sr$_{n+1}$Cr$_n$O$_{3n+1}$. These model contain interacting spins 1 and pseudospins 1/2 at each site describing spin and orbitals degrees of freedom respectively. We solve the models at zero temperature using pseudospin bond operators and spin waves. We find that for realistic parameters, SOC dominates the physics of the compound Sr$_{2}$CrO$_{4}$ with almost decoupled single CrO$_2$ planes. The spin ordering is antiferromagnetic, with nearest-neighbor Cr spins aligned antiparallel. The corresponding orbital configuration is $d_{xy \uparrow }^{1}(d_{xz\uparrow }^{1}-id_{yz\uparrow }^{1})$ or $d_{xy \downarrow }^{1}(d_{xz\downarrow }^{1}+id_{yz\downarrow }^{1})$ depending on the spin of the site. In contrast, for the bilayer compound Sr$_{3}$Cr$_{2}$O$_{7}$ we find that the effect of the SOC is weak and the system prefers to form pseudospin singlets in the $z$ direction perpendicular to the planes. The spin order is antiferromagnetic within each plane and ferromagnetic between planes, in agreement with previous studies.