Electronic transport properties of two-dimensional tetragonal zinc chalcogenides

• Published in: Physical chemistry chemical physics : PCCP Vol. 25; no. 2; pp. 14635 - 14641
• Main Authors: Zhu, Yaoyun, Meng, Shuang, Zhou, Jia
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 24.05.2023
• Subjects: Density functional theory; Electric potential; Electron transport; Green's functions; Light irradiation; Linear polarization; Monolayers; Optoelectronic devices; Photoelectric effect; Polarized light; Transport properties; Voltage
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/d3cp00864a

The electronic transport properties of two-dimensional (2D) tetragonal ZnX (X = S, Se) monolayers have been studied using density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods. The gate voltage (a 5 V in particular) generally enhances the transport performance of the monolayers, which is ca. three times that without the gate voltage. It is shown that the transport properties of the Janus Zn 2 SeS monolayer may show a relatively good trend among the ZnX monolayers, and the Zn 2 SeS monolayer has the highest sensitivity to gate-voltage regulation. We also investigate the photocurrent of ZnX monolayers under linearly polarized light irradiation in the visible and near-ultraviolet regions, and the ZnS monolayer processes a maximum value of 15 a 0 2 per photon in the near-ultraviolet region. The excellent electronic transport properties make environmentally friendly tetragonal ZnX monolayers promising for utilization in various electronic and optoelectronic devices. The electronic transport properties of two-dimensional (2D) tetragonal ZnX (X = S, Se) monolayers have been studied using density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods.