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Momentum-matched type II van der Waals heterostructures (vdWHs) have been designed by assembling layered two-dimensional semiconductors (2DSs) with special band-structure combinations - that is, the valence band edge at the Gamma point (the Brillouin-zone center) for one 2DS and the conduction band edge at the Gamma point for the other [Ubrig et al., Nat. Mater. 19, 299 (2020)]. However, the band offset sizes, band-alignment types, and whether momentum matched or not, all are affected by the interfacial effects between the component 2DSs, such as the quasichemical-bonding (QB) interaction between layers and the electrical dipole moment formed around the vdW interface. Here, based on density-functional theory calculations, first we probe the interfacial effects (including different QBs for valence and conduction bands, interface dipole, and, the synergistic effects of these two aspects) on band-edge evolution in energy and valley (location in the Brillouin zone) and the resulting changes in band alignment and momentum matching for a typical vdWH of monolayer InSe and bilayer WS2, in which the band edges of subsystems satisfy the special band-structure combination for a momentum-matched type II vdWH. Then, based on the conclusions of the studied interfacial effects, we propose a practical screening method for robust momentum-matched type II vdWHs. This practical screening method can also be applied to other band alignment types. Our current study opens a way for practical screening and designing of vdWHs with robust momentum-matching and band alignment type.

Valley degree of freedom besides spin is a promising candidate as a carrier of information. Spintronics has come a long way and spin modulation can be realized by quantum interference and spin-orbit coupling effect. However, the control of valley degree of freedom using quantum interference is still a problem to be explored. Here we discover a mechanism of producing valley polarization in a monolayer transition metal dichalcogenides nanoribbon with attached stubs, in which valley-resolved Fano resonance are formed due to the quantum interference of intervalley backscattering. When the quantum interference occurs between the localized states at the edge of the stubs and the continuous channels in the nanoribbon, the transmission dips of Fano effect is valley-polarized. As the number of stubs increases, the valley-polarized transmission dips will split and valley-resolved minigaps are formed by Fano resonance with intervalley backscattering in stub superlattice. When the electron incident energy is in these valley-resolved gaps of the superlattice, even with several stubs, the transmission can have a significant valley polarization. Our finding points to an opportunity to realize valley functionalities by quantum interference., Comment: 8 pages, 6 figures