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Abstract
Abstract The realization of half-metallicity in two-dimensional (2D) materials has been extensively investigated in order to advance the development of next-generation nanospintronic devices. In this work, a theoretical study of the h-BN/MnO2 vertical vdW heterostructure has been investigated to manipulate electronic structure of ferromagnetic semiconductor MnO2. Our research reveals that due to the large potential difference at the heterojunction interface, the energy bands of the two materials are shifted, which results in the half-metallicity in monolayer MnO2. Furthermore, we designed an in-plane magnetic tunnel junction (MTJ) by using h-BN/MnO2 heterostructure as the electrodes and monolayer MnO2 as the barrier, and simulated its transport properties from density functional theory combined with nonequilibrium Green’s function. According to our calculations, the MTJ demonstrates perfect 100% spin polarization in PC owing to the single-channel conduction capability of half-metal MnO2. Also, we have considered the effect of the barrier width on tunnel magnetoresistance (TMR) of the MTJ. It is found that the TMR ratio can be adjusted by modifying the barrier width, with the maximum achievable value exceeding 108. Moreover, the MTJ exhibits a 100% spin filtering effect (SFE) in PC within the bias voltages of -0.1 ~ 0.1 V. Our results provide valuable guidance for experimental investigations into MTJs utilizing 2D magnetic vdW materials.
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