Regulating spin-related electronic structures to realize two-dimensional (2D) ferromagnetism plays a critical role in developing new-type spintronic devices. However, the spin-related orbital interaction among neighboring magnetic nets is too weak to support the ferromagnetic emergence at room temperature. Based on the density functional theory and Monte Carlo simulations, we have systematically predicated the ferromagnetic feature and electronic structures of MnX (X = O, S, Se, Te) monolayers with some structural strains. The electronic hopping between half-filled t and e orbitals can be regulated as strain-dependent transformation in electronic structure, finally leading to an ideal ferromagnetism. This work provides a new insight into developing new-type 2D spintronic devices.

中文翻译：

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表面应变相关的 MnX2 单层中的自旋分辨电子结构和铁磁性

调控自旋相关电子结构以实现二维（2D）铁磁性在开发新型自旋电子器件中起着至关重要的作用。然而，相邻磁网之间的自旋相关轨道相互作用太弱，无法支持室温下铁磁的出现。基于密度泛函理论和蒙特卡罗模拟，我们系统地预测了具有一定结构应变的MnX（X = O，S，Se，Te）单层的铁磁特征和电子结构。半填充t轨道和e轨道之间的电子跳跃可以通过电子结构中应变相关的转变来调节，最终产生理想的铁磁性。这项工作为开发新型二维自旋电子器件提供了新的见解。