Monolayer FeGaX (X=I, Br, Sb): high-temperature two-dimensional magnets and a novel partially ordered spin state
arXiv:2401.04399 · doi:10.1021/acs.jpcc.4c00054
Abstract
We systematically investigated the effects of charge doping and strain on monolayer FeGaTe, and proposed three new novel two-dimensional magnetic materials: monolayer FeGaX (X=I, Br, Sb). We found that both strain and charge doping can tune the magnetic interactions, and the tuning by charge doping is more significant. Differential charge analysis revealed that the doped charges predominantly accumulate around Te atoms. Based on this insight, we introduced FeGaI, FeGaBr, and FeGaSb monolayers. The FeGaI and FeGaBr monolayers contain I and Br atoms rather than Te atoms, emulate electron-doped FeGaTe monolayer, resulting in notably high T values of 867 K and 844 K, respectively. In contrast, the FeGaSb monolayer mimics hole-doped FeGaTe monolayer, presents a mix of FM and antiferromagnetic interactions, manifesting a distinctive partially ordered magnetic state. Our study demonstrates that substitution atoms based on the charge-doping effect offer a promising approach for predicting new magnetic materials. The proposed FeGaI, FeGaBr, and FeGaSb monolayers hold great potential for spintronics applications, and may stimulate the pursuit of new types of spin liquid.
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