Moir\'e Modulated Lattice Strain and Thickness-Dependent Lattice Expansion in Epitaxial Ultrathin Films of PdTe$_2$

Abstract

We report the epitaxial growth of PdTe$_2$ ultrathin films on topological insulator Bi$_2$Se$_3$. A prominent Moir\'e pattern was observed in STM measurements. The Moir\'e 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 Moir\'e Metrology reveal uniaxial lattice strains at the edge of PdTe$_2$ domains, and anisotropic strain distributions throughout the Moir\'e 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 $\Gamma$ point near the Fermi level. Under a strain of ~2.8%, the band gap at $\Gamma$ 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 Moir\'e potentials.