Controllable magnetic anisotropy and conductivity in ScCrSe3 monolayer driven by electrostatic doping

JOURNAL OF ALLOYS AND COMPOUNDS(2024)

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摘要
Above-room-temperature intrinsic ferromagnetism and superior transport property are critical for lowdimensional spintronic devices. Here, some main features of the ScCrSe3 monolayer and their changes under electrostatic doping are unveiled by means of the first-principles calculations and Monte Carlo simulations. The ScCrSe3 monolayer displays a feature of room-temperature ferromagnetic semiconductor with a Curie temperature of 350 K and an indirect bandgap of 2.13 eV. The magnetic anisotropy energy is 0.115 meV per unit cell. The Curie temperature above room-temperature increases with hole doping. The physical mechanism by which the easy magnetization axis of the ScCrSe3 monolayer undergoes a transition from in-plane to out-of-plane direction at a doping concentration of 0.2 holes per unit cell is discussed in detail. Moreover, the conductivity of spin-up and spin-down channels can be enhanced significantly under hole doping. Our results suggest that ScCrSe3 monolayer is a promising two-dimensional room-temperature ferromagnetic material with potential applications in low-dimensional spintronics.
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关键词
ScCrSe3,Van der Waals room-temperature ferromagnet,Carrier doping
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