Evolution from Kitaev to XXZ spin chains via distortion: Application to BaCo$_2$V$_2$O$_8$

Abstract

BaCo$_2$V$_2$O$_8$ is a prototypical spin-orbit-coupled Ising-chain antiferromagnet that provides a unique platform for studying field-induced quantum magnetism. Under a transverse magnetic field, it exhibits unusual magnetic properties, including an anomalous staggered magnetization and a pronounced anisotropy of the critical field with respect to the in-plane field direction. While these phenomena have been attributed phenomenologically to a site-dependent anisotropic $g$-tensor, a recent microscopic theory has shown that spin-orbit coupling naturally generates bond-dependent Heisenberg, Kitaev, and $Γ$ exchange interactions. Here, we unify these two pictures by extending the microscopic theory to incorporate distortions of the CoO$_6$ octahedra. We show that the distortions not only generate the site-dependent anisotropic $g$-tensor but also renormalize the staggered exchange interactions through a distortion-induced contribution that partially compensates the Kitaev-derived staggered term. Using point-charge calculations to estimate the $g$-tensor of BaCo$_2$V$_2$O$_8$, we demonstrate that the strong anisotropy of the critical field originates from the combined effects of the modified exchange interactions and the anisotropic $g$-tensor. Our work provides a unified microscopic framework for understanding the magnetic anisotropy of spin-orbit-coupled Ising-chain materials.