Tuning Electronic and Magnetic Properties of Janus MoSSe Monolayers via Non-magnetic Atoms Substituted Doping Se atoms by First-principles Calculation

Key Points

• This research aims to investigate how doping non-magnetic atoms affects the electronic and magnetic properties of Janus MoSSe monolayers.
• Conducted first-principles calculations to analyze structural stability and properties.
• Systematically substituted Se with various non-magnetic atoms such as B, Al, C, Si, N, and P.
• Doping with non-magnetic atoms altered the electronic and magnetic characteristics of Janus MoSSe monolayers.
• Certain dopants enhanced stability and could lead to potential applications in electronics.