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First-principles based simulations of electronic transmission in ReS₂/WSe₂ and ReS₂/MoSe₂ type-II vdW heterointerfaces.

ABSTRACT: Electronic transmission in monolayer ReS[Formula: see text] and ReS[Formula: see text] based van der Waals (vdW) heterointerfaces are studied here. Since ReS[Formula: see text]/WSe[Formula: see text] and ReS[Formula: see text]/MoSe[Formula: see text] type-II vdW heterostructures are suitable for near infrared (NIR)/short-wave infrared (SWIR) photodetection, the role of interlayer coupling at the heterointerfaces is examined in this work. Besides, a detailed theoretical study is presented employing density functional theory (DFT) and nonequilibrium Green's function (NEGF) combination to analyse the transmission spectra of the two-port devices with ReS[Formula: see text]/WSe[Formula: see text] and ReS[Formula: see text]/MoSe[Formula: see text] channels and compare the near-equilibrium conductance values. Single layer distorted 1T ReS[Formula: see text] exhibits formation of parallel chains of 'Re'-'Re' bonds, leading to in-plane anisotropy. Owing to this structural anisotropy, the charge carrier transport is very much orientation dependent in ReS[Formula: see text]. Therefore, this work is further extended to investigate the role of clusterized 'Re' atoms in electronic transmission.

SUBMITTER: Saha D

PROVIDER: S-EPMC8648936 | biostudies-literature |

REPOSITORIES: biostudies-literature

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