Orientation‐Engineered PtTe ₂ Schottky FETs: Quantum Transport Insights for Dopant‐Free Advanced Technology Nodes

As transistor scaling pushes beyond the 5 nm node, conventional silicon‐based field effect transistors (FETs) face critical challenges including short‐channel effects, high contact resistance, and power dissipation. This work presents a comprehensive quantum transport simulation study of monomaterial Schottky‐junction FETs based on monolayer PtTe 2 , leveraging its unique thickness‐dependent electronic properties – where the semimetallic bilayer serves as the source/drain and the semiconducting monolayer forms the channel. First‐principles simulations reveal that the device architecture enables efficient, doping‐free carrier injection, sharp electrostatic switching, and directional performance tunability. The results show that transport along the Γ–M orientation achieves superior ON‐state current, subthreshold swing (as low as 75 mV/dec), and suppressed OFF‐state current, with OFF‐currents and subthreshold swings comparable to IRDS‐style low‐power projections for sub‐10 nm logic nodes. Projected local density of states (PLDoS) and energy‐resolved current spectra further reveal distinct transport regimes and efficient Schottky barrier modulation. Compared to contemporary 2D‐channel transistors, the monomaterial PtTe 2 Schottky FET offers a balanced trade‐off between scalability, simplicity, carrier injection, and low‐power operation. These findings highlight monolayer PtTe 2 as a promising candidate for ultra‐scaled logic applications and demonstrate the strategic advantages of monomaterial, orientation‐engineered architectures for beyond‐CMOS nanoelectronics.