Tunable electronic structures of covalent triazine frameworks/GaS van der Waals heterostructures via a perpendicular electric field and parallel strain

摘要

This study employs the density functional theory to verify the electronic structures of covalent triazine frame-works (CTF)/GaS van der Waals heterostructures (vdWhs) in response to parallel strain and the perpendicular external electric field. The CTF/GaS vdWh is an indirect-semiconductor containing a type-II band alignment at an electric field from-1.5 to 1.4 V/angstrom. Additionally, a semiconductor to metal transition appeared at-1.6 and 1.5 V/angstrom. Furthermore, the CTF/GaS vdWhs exhibit a direct-semiconductor to indirect-semiconductor transition at-3% parallel strain. These results indicate the ability of CTF/GaS vdWhs in new high-efficiency optoelectronic devices.

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