Abstract
Constructing heterostructures from already synthesized two-dimensional materials is of significant importance. We performed a first-principles study to investigate the electronic properties and interfacial characteristics of Janus MoSH/WSi(2)N(4) van der Waals heterostructure (vdWH) contacts. We demonstrate that the p-type Schottky formed by MoSH/WSi(2)N(4) and MoHS/WSi(2)N(4) has extremely low Schottky barrier heights (SBHs). Due to its excellent charge injection efficiency, Janus MoSH may be regarded as an effective metal contact for WSi(2)N(4) semiconductors. Furthermore, the interfacial characteristics and electronic structure of Janus MoSH/WSi(2)N(4) vdWHs can not only reduce/eliminate SBH, but also forms the transition from p-ShC to n-ShC type and from Schottky contact (ShC) to Ohmic contact (OhC) through the layer spacing and electric field. Our results can offer a fresh method for optoelectronic applications based on metal/semiconductor Janus MoSH/WSi(2)N(4) vdW heterostructures, which have strong potential in optoelectronic applications.