A 3D Atomistic Quantum Simulator for Realistic Carbon Nanotube (CNT) Structures Objective: Investigate the electrostatic effect of the 3D environment.

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Presentation transcript:

A 3D Atomistic Quantum Simulator for Realistic Carbon Nanotube (CNT) Structures Objective: Investigate the electrostatic effect of the 3D environment on 1D channels Investigate atomistic quantum transport in CNT devices Approach: A 3D simulation domain based on the FEM for treatment of the electrostatics Details involved: Merge of the cylindrical CNT geometry to the rectangular device environment Atomistic description of the CNT Finite extent of the contacts (3D objects) to account for parasitic fringing fields Quantum transport based on NEGF Impact: Insight on the electrostatics of 1D channel transport devices Quantum mechanical investigation of the effects of atomistic defects in 1D transport Results: Electrostatics of 1D channels: Sensitive to the oxide thickness Not sensitive to the size of the contacts (except very near the contact point) Single atomistic defects can degrade the performance by ~30%. Exponential increase in channel resistance as the number of defects increases (in small diameter CNTs) Publications: Tool online at nanoHUB.org CNTFET J. Comp Electr [J76], APL [J83], IWCE [P70]