Tunable Electronic Properties of Few-Layer Tellurene under In-Plane and Out-of-Plane Uniaxial Strain.

ABSTRACT: Strain engineering is a promising and fascinating approach to tailoring the electrical and optical properties of 2D materials, which is of great importance for fabricating excellent nano-devices. Although previous theoretical works have proved that the monolayer tellurene has desirable mechanical properties with the capability of withstanding large deformation and the tunable band gap and mobility conductance induced by in-plane strain, the effects of in-plane and out-of-plane strains on the properties of few-layer tellurene in different phases should be explored deeply. In this paper, calculations based on first-principles density functional theory were performed to predict the variation in crystal structures and electronic properties of few-layer tellurene, including the α and β phases.

SUBMITTER: Wang G 

PROVIDER: S-EPMC8912431 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature