The present article designs two-dimensional heterojunction duplex material FETs based on binary monolayer material, Mg and molybdenum disulfide. Despite having a hexagonal crystal structure, the monolayer Mg and molybdenum disulfide have good lattice matching ability, with a mismatch
degree of approximately 5%. The electrostatic characteristics of Mg/molybdenum disulfide field effect transistors (FETs) are well suited for compact fabrication. Electronic structure of first-principles investigations, optical, mechanical, and electrochemical properties of MODES field-effect
transistors based on density functional theory are mastered in order to master the electrostatic doping associated features of FETs. Based on the Silvaco TCAD platform, this simulation study was performed. There is theoretical value in engineering practice, both in terms of design and application.