Susceptibility anisotropy and its disorder evolution in models for Kitaev materials

Abstract

Mott insulators with strong spin-orbit coupling display a strongly anisotropic response to applied magnetic fields. This applies in particular to Kitaev materials, with $\alpha$-RuCl$_3$ and Na$_2$IrO$_3$ representing two important examples. Both show a magnetically ordered zigzag state at low temperatures, and considerable effort has been devoted to properly modeling these systems in order to identify routes towards realizing a quantum spin liquid. Here, we investigate the relevant Heisenberg-Kitaev-$\Gamma$ model primarily at elevated temperatures, focusing on the characteristic anisotropy between the in-plane and out-of-plane uniform susceptibility. For $\alpha$-RuCl$_3$, we find that the experimentally observed anisotropy, including its temperature dependence, can be reproduced by combining a large off-diagonal $\Gamma_1$ coupling with a moderate $g$-factor anisotropy. Moreover, we study in detail the effect of magnetic dilution and provide predictions for the doping evolution of the temperature-dependent susceptibilities.