Electronic Transport Properties and Nanodevice Designs for Monolayer MoSi2P4

A family of $M{A}_{2}{Z}_{4}$ 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 ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{P}}_{4}$ 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 ${\mathrm{Mo}\mathrm{Si}}_{2}{\mathrm{P}}_{4}$ monolayer, promising its application as a designer material in next-generation ultrathin flexible semiconductor nanodevices.