Moiré Modulated Lattice Strain and Thickness-Dependent Lattice Expansion in Epitaxial Ultrathin Films of PdTe$_2$

We report the epitaxial growth of PdTe$_2$ ultrathin films on topological insulator Bi$_2$Se$_3$. A prominent Moiré pattern was observed in STM measurements. The Moiré periodicity increases as film thickness decreases, indicating a lattice expansion of epitaxial PdTe$_2$ thin films with lower thicknesses. In addition, our simulations based on Moiré Metrology reveal uniaxial lattice strains at the edge of PdTe$_2$ domains, and anisotropic strain distributions throughout the Moiré supercell with a net change in lattice strain up to ~2.9%. Our DFT calculations show that this strain effect leads to a narrowing of the band gap at $Γ$ point near the Fermi level. Under a strain of ~2.8%, the band gap at $Γ$ closes completely. Further increasing the lattice strain makes the band gap reopen and the order of conduction band and valence bands inverted in energy. The results offer a proof of concept for constructing quantum grids of topological materials under the modulation of Moiré potentials.

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