Abstract
The electronic occupation at 3d transition metal and crystal symmetry play a critical role in realizing spin polarization, but the weak spin exchange interaction makes it difficult to obtain room-temperature ferromagnetism, especially in two-dimensional (2D) materials. Different from traditional bulk phase with semiconducting feature, the free-standing hexagonal MIn2S4 (M = Fe, Co, Ni, Mn) monolayers are proposed to discuss the strain-dependent magnetic behavior, in which the 3d-orbital hybridization and charge transfer can be regulated by structural deformation to enforce their spin exchange interaction, finally leading to a room-temperature 2D magnetic characteristic. The calculations disclose that the structural deformation not only regulates the spin polarization feature but also leads to an electronic reconfiguration. Our findings provide a new insight into designing 2D spintronic devices by strain engineering in hexagonal MIn2S4 monolayers.
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