Janus MoSH/WSi 2 N 4 van der Waals Heterostructure: Two-Dimensional Metal/Semiconductor Contact

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 N van der Waals heterostructure (vdWH) contacts. We demonstr...

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Published inMolecules (Basel, Switzerland) Vol. 29; no. 15
Main Authors Wang, Yongdan, Zhu, Xiangjiu, Zhang, Hengshuo, He, Shitong, Liu, Ying, Zhao, Wenshi, Liu, Huilian, Qu, Xin
Format Journal Article
LanguageEnglish
Published Switzerland 28.07.2024
Subjects
two-dimensional heterostructures
first-principles calculations
electronic properties
electrical contact
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Summary: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 N van der Waals heterostructure (vdWH) contacts. We demonstrate that the p-type Schottky formed by MoSH/WSi N and MoHS/WSi N 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 N semiconductors. Furthermore, the interfacial characteristics and electronic structure of Janus MoSH/WSi N 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 N vdW heterostructures, which have strong potential in optoelectronic applications.
ISSN:1420-3049