Electric Field and Strain Tuning of 2D Semiconductor van der Waals Heterostructures for Tunnel Field-Effect Transistors.

ABSTRACT: Heterostacks consisting of low-dimensional materials are attractive candidates for future electronic nanodevices in the post-silicon era. In this paper, using first-principles calculations based on density functional theory (DFT), we explore the structural and electronic properties of MoTe₂/ZrS₂ heterostructures with various stacking patterns and thicknesses. Our simulations show that the valence band (VB) edge of MoTe₂ is almost aligned with the conduction band (CB) edge of ZrS₂, and (MoTe₂)_m/(ZrS₂)_m (m = 1, 2) heterostructures exhibit the long-sought broken gap band alignment, which is pivotal for realizing tunneling transistors. Electrons are found to spontaneously flow from MoTe

SUBMITTER: Iordanidou K 

PROVIDER: S-EPMC9837817 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature