Ab-initio-NEGF Fundamental Roadmap for Carbon-Nanotube and Two-Dimensional-Material MOSFETs at the Scaling and VDD Limit

2025/07/01 by Aryan Afzalian, Afzalian, Aryan
Engineering · Materials Science · #Advancements in Semiconductor Devices and Circuit Design #Applied Physics (physics.app-ph) #Carbon Nanotubes in Composites #FOS: Physical sciences #Graphene research and applications #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)

paper · pdf · doi:10.48550/arxiv.2507.00599

openalex publication_date 2025/07/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Using accurate Hybrid-Functional DFT coupled with the Non-Equilibrium Green's function (NEGF) formalism, we explore and benchmark the fundamental scaling limits of CNT-FETs against Si and 2D-material MoS₂ and HfS₂ Nanosheets, highlighting their potential for gate length (L) and supply voltage (VDD) scaling down to 5 nm and to 0.5 V, respectively. The highest drive current is achieved by CNT-FETs with sub 1.3 nm diameters down to L = 9 nm and using VDD in the 0.45-0.5V range. Below L = 9 nm, however, the HfS₂ NS offers the best drive and could further scale down to L = 5 nm with a reduced VDD of 0.5 V.

Citations

• Advanced DFT-NEGF transport techniques for novel 2D-material and device exploration including HfS2/WSe2 van-der-Waals Heterojunction TFET and WTe2/WS2 metal/semiconductor contact
• CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations
• QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Related

• DFT modelling of bulk-modulated carbon nanotube field-effect transistors
• Predicted Performance Advantages of Carbon Nanotube Transistors with Doped Nanotubes as Source/Drain
• The Post-Silicon Semiconductor Era: A Review of Physics, Synthesis, and Architectural Integration of Carbon Nanotube Field-Effect Transistors
• Towards sub-30nm Contacted Gate Pitch, Forked Contact and Dynamically-Doped Nanosheets to Enhance Si and 2D Materials Device Scaling
• Advancements in Complementary Carbon Nanotube Field-Effect Transistors