Transition Metal Dichalcogenides as Nanoscale 2D Interconnects: Performance Analysis of MoTe₂, TaS₂, WTe₂, NbSe₂, and TaSe₂ Nanoribbons

This study evaluates the potential of transition metal dichalcogenide (TMD) nanoribbons, specifically MoTe2, TaS2, WTe2, NbSe2, and TaSe2 as nanoscale interconnects to address scaling challenges in semiconductor technology. Six configurations, 1T′ MoTe2, 1T TaS2, 1T′ WTe2, 1T NbSe2, and 2H TaSe2 (in both armchair and zigzag orientations), are assessed in terms of key performance metrics such as propagation delay, crosstalk-induced delay, noise performance, energy-delay product (EDP), stability, and frequency response. To ensure a comprehensive analysis of structural variations, three distinct edge termination configurations have been investigated for each of the TMD (MX2) materials: C1, with both edges terminated by metal (M) atoms; C2, with one edge terminated by a M atom and the other by a chalcogen (X) atom; and C3, with both edges terminated by X atoms. Interconnect behavior is simulated using a π-type equivalent single conductor (ESC) model in conjunction with a driver-interconnect-load (DIL) setup. The ESC circuit parameters, derived from the number of conducting channels and Fermi velocity calculated via first-principles simulations, facilitated detailed delay and noise calculations, while the open-loop transfer function provided insights into frequency response, Nyquist plots, and damping factors. In addition to our six proposed configurations (each with three distinct edge configurations), nine configurations reported in the literature are compared in terms of the same performance parameters, thereby evaluating a total of twenty-seven configurations. Among these, TaS2 nanoribbon-based configurations outperformed the others overall, with MoTe2, WTe2, and NbSe2 also showing competitive performance; TaSe2 configurations, despite their poorer interconnect performance, demonstrated superior stability. These findings indicate that TaS2, along with NbSe2, WTe2, and MoTe2, is a promising candidate for future nanoscale interconnect applications at reduced dimensions.