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- W4384644443 abstract "The interlayer hybridization (IH) of van der Waals (vdW) materials is thought to be mostly associated with the unignorable interlayer overlaps of wavefunctions ( t ) in real space. Here, we develop a more fundamental understanding of IH by introducing a new physical quantity, the IH admixture ratio α . Consequently, an exotic strategy of IH engineering in energy space can be proposed, i.e., instead of changing t as commonly used, α can be effectively tuned in energy space by changing the on-site energy difference (2 Δ ) between neighboring-layer states. In practice, this is feasible via reshaping the electrostatic potential of the surface by deposing a dipolar overlayer, e.g., crystalline ice. Our first-principles calculations unveil that IH engineering via adjusting 2 Δ can greatly tune interlayer optical transitions in transition-metal dichalcogenide bilayers, switch different types of Dirac surface states in Bi 2 Se 3 thin films, and control magnetic phase transition of charge density waves in 1H/1T-TaS 2 bilayers, opening new opportunities to govern the fundamental optoelectronic, topological, and magnetic properties of vdW systems beyond the traditional interlayer distance or twisting engineering." @default.
- W4384644443 created "2023-07-19" @default.
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- W4384644443 date "2023-07-01" @default.
- W4384644443 modified "2023-09-23" @default.
- W4384644443 title "Engineering Interlayer Hybridization in Energy Space via Dipolar Overlayers" @default.
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- W4384644443 doi "https://doi.org/10.1088/0256-307x/40/8/087303" @default.
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