Electric-field tuning of the magnetic properties of bilayer VI3: A first-principles study

Article

关键词: INTRINSIC FERROMAGNETISM;    CRYSTAL;    DISCOVERY;    VANADIUM;   

DOI  :  10.1103/PhysRevB.104.014414

来源: SCIE

【 摘 要 】

The magnetic properties of the two-dimensional VI3 bilayer are the focus of our first-principles analysis, highlighting the role of t(2g) orbital splitting and carried out in comparison with the CrI3 prototypical case, where the splitting is negligible. In VI3 bilayers, the empty a(1g) state is found to play a crucial role in both stabilizing the insulating state and in determining the interlayer magnetic interaction. Indeed, an analysis based on maximally localized Wannier functions allows one to evaluate the interlayer exchange interactions in two different VI3 stackings (labeled AB and AB'), to interpret the results in terms of the virtual-hopping mechanism, and to highlight the strongest hopping channels underlying the magnetic interlayer coupling. Upon application of electric fields perpendicular to the slab, we find that the magnetic ground state in the AB' stacking can be switched from antiferromagnetic to ferromagnetic, suggesting the VI3 bilayer as an appealing candidate for electric-field-driven miniaturized spintronic devices.

【 授权许可】

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