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- W4285802039 abstract "The compositional as well as structural asymmetries in Janus transition metal dichalcogenides (J-TMDs) and their van der Waals heterostructures (vdW HSs) induce an intrinsic Rashba spin-splitting. We investigate the variation of band-gaps and the Rashba parameter in three different Janus heterostructures having AB-stacked Mo$XY$/W$XY$ ($X$, $Y$ = S, Se, Te; $Xneq Y$) geometry with a $Y-Y$ interface, using first-principles calculations. We consider the effect of external electric field and in-plane biaxial strain in tuning the strength of the intrinsic electric field, which leads to remarkable modifications of the band-gap and the Rashba spin-splitting. In particular, it is found that the positive applied field and compressive in-plane biaxial strain can lead to a notable increase in the Rashba spin-splitting of the valence bands about the $Gamma$-point. Moreover, our textit{ab-initio} density functional theory (DFT) calculations reveal the existence of a type-II band alignment in these heterostructures, which remains robust under positive external field and biaxial strain. These suggest novel ways of engineering the electronic, optical, and spin properties of J-TMD van der Waals heterostructures holding a huge promise in spintronic and optoelectronic devices. Detailed $mathbf{kcdot p}$ model analyses have been performed to investigate the electronic and spin properties near the $Gamma$ and K points of the Brillouin zone." @default.
- W4285802039 created "2022-07-19" @default.
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- W4285802039 date "2022-07-18" @default.
- W4285802039 modified "2023-10-16" @default.
- W4285802039 title "Electric field and strain-induced band-gap engineering and manipulation of the Rashba spin splitting in Janus van der Waals heterostructures" @default.
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- W4285802039 doi "https://doi.org/10.1103/physrevb.106.035125" @default.
- W4285802039 hasPublicationYear "2022" @default.
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