We systematically investigated the effects of charge doping and strain on monolayer Fe₃GaTe₂ and proposed three new novel two-dimensional magnetic materials: monolayer Fe₃GaX₂ (X = I, Br, Sb). We found that both strain and charge doping can tune the magnetic interactions, and tuning by charge doping is more significant. Differential charge analysis revealed that the doped charges predominantly accumulate around the Te atoms. Based on this insight, we introduced Fe₃GaI₂, Fe₃GaBr₂, and Fe₃GaSb₂ monolayers. The Fe₃GaI₂ and Fe₃GaBr₂ monolayers contain I and Br atoms rather than Te atoms and emulate an electron-doped Fe₃GaTe₂ monolayer, resulting in notably high T_c values of 867 and 844 K, respectively. In contrast, the Fe₃GaSb₂ monolayer mimics a hole-doped Fe₃GaTe₂ monolayer and presents a mix of ferromagnetic 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 Fe₃GaI₂, Fe₃GaBr₂, and Fe₃GaSb₂ monolayers hold great potential for spintronics applications and may stimulate the pursuit of new types of spin liquid.

中文翻译：

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单层 Fe3GaX2 (X = I, Br, Sb)：高温二维磁体和新颖的部分有序自旋态

_{我们系统地研究了电荷掺杂和应变对单层Fe 3} GaTe ₂的影响，并提出了三种新型二维磁性材料：单层Fe ₃ GaX ₂ (X = I, Br, Sb)。我们发现应变和电荷掺杂都可以调节磁相互作用，并且通过电荷掺杂进行调节更为重要。差分电荷分析表明，掺杂电荷主要聚集在 Te 原子周围。基于这一见解，我们引入了 Fe ₃ GaI ₂、Fe ₃ GaBr ₂和 Fe ₃ GaSb ₂单层。 Fe ₃ GaI ₂和Fe ₃ GaBr ₂单层包含I和Br原子而不是Te原子，并模拟电子掺杂的Fe ₃ GaTe ₂单层，分别产生867和844 K的极高T _c值。相比之下，Fe ₃ GaSb ₂单层模仿空穴掺杂的Fe ₃ GaTe ₂单层，并呈现铁磁和反铁磁相互作用的混合，表现出独特的部分有序磁态。我们的研究表明，基于电荷掺杂效应的取代原子为预测新磁性材料提供了一种有前途的方法。所提出的Fe ₃ GaI ₂、Fe ₃ GaBr ₂和Fe ₃ GaSb ₂单层在自旋电子学应用中具有巨大的潜力，并且可能会刺激对新型自旋液体的追求。