Electronic Transport Properties and Nanodevice Designs for Monolayer MoSi2 P4

A family of MA2Z4 materials has recently inspired great interest due to its exotic geometry and intriguing electronic properties. Here we investigate the electronic transport and photoelectric properties of MoSi2P4 monolayer (MSP ML) that has a small direct gap using first-principles calculations. We design several model nanodevices based on MSP ML, including p-n junction diodes, p-i-n junction field-effect transistors, and photoelectric transistors. We demonstrate that these MSP-ML-based nanodevices yield superb transport properties, including significant rectifying effect, high electrical anisotropy, pronounced field-effect behavior, strong photoelectric response, and large photovoltaic power. These findings reveal the multifunctional nature of MoSi2P4 monolayer, promising its application as a designer material in next-generation ultrathin flexible semiconductor nanodevices.