Abstract

Spin-gapless semiconductors (SGSs) are new magnetic zero-bandgap materials whose band structure is extremely sensitive to external influences (pressure or magnetic fields) and have great potential for high-speed and low-energy spintronics applications. The first-principles method was used to systematically study the heterostructures constructed of an asymmetric surface-functionalized Janus MXene material, Cr2NOF, and a two-dimensional hexagonal lattice (2DH) semiconductor material and to study the effects of the electronic structure, Curie temperature, magnetism, and the design of unusual band structures and magnetic injection in the bilayer to obtain an SGS structure. Through the design and construction of Cr2NOF/2DH van der Waals heterojunction spintronic devices, the spin-filtering effect of the devices can reach 100%, especially, realizing spin gating through magnetic injection. We report the transport mechanism of the heterojunction spintronic devices to achieve the goal of a controllable optimization of the device functions, which provides a theoretical basis for the design of MXene van der Waals heterojunctions for high-efficiency and low-power-consumption spintronic devices.

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