Applying strain can significantly change and control the value of Rashba spin-splitting by modifying the orbitals overlap which can adjust the intrinsic electric field. Furthermore, we have explored the effect of in-plane biaxial strain on the electrical and spin properties of structures. We have manipulated these spin properties by applying an external electric field parallel to the internal electric field to enhance the strength of it. Fifteen different stacking patterns of MoSeTe as an example have been investigated to find the most stable structures and the stacking configurations with Rashba spin-splitting. In Janus bilayer TMDs breaking out-of-plane symmetry causes intrinsic electric field which induces Rashba spin-splitting at the Γ-point in valance band and Zeeman-type spin-splitting at the K-point of both valance band and conduction band. In this paper, we have applied first-principles calculations to investigate the structural, electronic and spintronic properties of the two-dimensional (2D) Janus bilayer transition metal dichalcogenides (TMDs) (MXY M=Mo, W X, Y=S, Se, Te). Here, the authors report intercalation strategies to explore a much wider range of MA2Z4 family and predict amount of materials accessible to experimental verifications with emergent topological, magnetic or Ising superconductivity properties. The discovery of a new two-dimensional van der Waals layered MoSi2N4 material inspires many attentions. Our study thus provides an effective way of designing septuple-atomic-layer MA2Z4 with unusual electronic properties to draw immediate experimental interest. Moreover, WSi2P4 is a direct gap semiconductor with peculiar spin-valley properties, which are robust against interlayer interactions. While VSi2P4 is a ferromagnetic semiconductor and TaSi2N4 is a type-I Ising superconductor. In particular, we find that, among the predicted compounds, (Ca,Sr)Ga2Te4 are topologically nontrivial by both the standard density functional theory and hybrid functional calculations. Whereas, those with 33 valence electrons can be nonmagnetic metals or ferromagnetic semiconductors. The systems with 32 and 34 valence electrons are mostly semiconductors. Such an intercalated architecture significantly reconstructs the band structures of the constituents MZ2 and A2Z2, leading to diverse electronic properties for MA2Z4, which can be classified according to the total number of valence electrons. We illustrate this unique strategy by means of first-principles calculations, which not only reproduce the structures of MoSi2N4 and MnBi2Te4 that were already experimentally synthesized, but also predict 72 compounds that are thermodynamically and dynamically stable. Here, we present an approach to construct MA2Z4 monolayers with a septuple-atomic-layer structure, that is, intercalating a MoS2-type monolayer MZ2 into an InSe-type monolayer A2Z2. The search for new two-dimensional monolayers with diverse electronic properties has attracted growing interest in recent years. Finally, our results could lead to a full understanding of the electronic and spintronic features of the WSeTe/MoSeTe, bilayer MoSeTe, and bilayer WSeTe compounds for application in spintronic devices. Moreover, vertical strain can considerably improve the Rashba coefficient values in the different stacking patterns. In considered Janus TMD compounds, obvious out-of-plane asymmetry endows intrinsic electric potential difference and induces Rashba type spin-splitting at the Γ-point of valance band. ![]() The bandgap of the structures tends to decrease by increasing compressive strain and transition from semiconductor to metal occurs under specific compressive strain. It is observed that bilayer WSeTe is the most stable material and AA and AB stack patterns are the most stable configurations. In this work, the electronic and spintronic properties of the five various stacking orders of bilayer MoSeTe, bilayer WSeTe, and MoSeTe/WSeTe van der Waals heterostructure under vertical strain is investigated using the first-principles calculations.
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