Benchmarking of Ultrascaled Monolayer Halogenated Borophene Transistors: A Comprehensive First-Principles Quantum Transport Study

Targeting high-performance and high-density application scenarios, this work systematically investigates the performance limits of ultrashort-channel double-gate (DG) MOSFETs based on halogenated borophene within a density functional theory (DFT)–nonequilibrium Green’s function (NEGF) quantum transport simulation framework. Key device metrics such as on-current, subthreshold swing, switching delay, and power consumption are analyzed for both n-type and p-type devices under various gate and underlap lengths. The optimal channel material selection and underlap length configuration are explored. Using B4Cl4 and B4Br4 as channel materials for nMOSFET and pMOSFET, respectively, significantly improves the subthreshold performance, ON-OFF ratio, and energy-delay product. Furthermore, selecting appropriate underlap lengths for different gate lengths enables further device performance optimization. These findings provide a crucial theoretical foundation for the material and structural design and optimization of ultrascaled two-dimensional semiconductor transistors in the post-Moore era.