Electronic and magnetic properties of the Janus MoSSe/WSSe superlattice nanoribbon: a first-principles study

Abstract

The electronic structure properties of Janus MoSSe/WSSe superlattice nanoribbons (SLNRs) are investigated by first-principles calculations. The ribbon width, combination ratio and period length have a great effect on the properties of the SLNRs.

The Strain and Electric Field Effects on the Electronic and Optical Properties of Armchair MoSSe/WSSe Superlattice Nanoribbon: A First‐Principles Study

“…[ 58–65 ] In our previous contribution, the bandgap of Janus MoSSe is calculated with PBE‐GGA and HSE06 and the value of the obtained bandgap is 1.58 and 2.09 eV. [ 66 ] Obviously, the former functional agrees with the experimental value of 1.68 eV. Therefore, all the calculations in this work are carried out using PBE functional.…”

Ultraflexible two-dimensional Janus heterostructure superlattice: a novel intrinsic wrinkled structure

“…34 In particular, the band structure of the Janus MoSSe/WSSe superlattice can be changed from type-I to type-II by intrinsic structural parameters and used as a photocatalyst for water splitting, 35 which can also be effectively tuned by external strain and electric field. 36 The Janus MoSSe/ WSSe superlattice nanoribbon can even be transformed as half-metal and magnetic material using decent ribbon width, 37 while the influence of superlattice configuration on the mechanical behaviors of the 2D in-plane heterostructure is rarely reported. In addition, the intrinsic bending at the interface of in-plane Janus MoSSe/WSSe heterostructure decides the mechanical strength, which can provide a theoretical guidance for further devices.…”

First-principles study of magnetic properties and electronic structure of 3d transition-metal atom–adsorbed SnSSe monolayers

“…Transition metal dichalcogenides (TMDs) have been widely studied due to their unique spintronic, magnetic, optical, and electronic structural properties, 21–25 proving their great potentials for applications. However, the out-of-plane mirror symmetry of the TMD molecules may restrict the freedom of electrons, affecting the spintronic device-related applications, 26–29 Yu et al used Se atoms in MoS 2 to replace the S atoms in one of the layers to successfully prepare Janus MoSSe, and investigated MoSSe/WSSe superlattice nano, which experimentally successfully modulated the electronic structure as well as the magnetic properties of MoSSe/WSSe superlattice nano, 30 which also showed that MoSSe and other Janus materials have potential in the field of spintronics.…”