Spin-resolved electronic structures and ferromagnetism in surface-strain-dependent MnX2 monolayers

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 ₂ (X = O, S, Se, Te) monolayers with some structural strains. The electronic hopping between half-filled t _2g and e _g 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.