Article,

Susceptibility anisotropy and its disorder evolution in models for Kitaev materials

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Phys. Rev. B, 102 (11): 115160 (Sep 28, 2020)
DOI: 10.1103/PhysRevB.102.115160

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 α−$RuCl_3$ and $Na_2IrO_3$ 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-Γ model primarily at elevated temperatures, focusing on the characteristic anisotropy between the in-plane and out-of-plane uniform susceptibility. For α−$RuCl_3$, we find that the experimentally observed anisotropy, including its temperature dependence, can be reproduced by combining a large off-diagonal Γ_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.

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