Neophytos Neophytou

A 3D atomistic quantum simulator for realistic CNT structures.

A 3D Atomistic Quantum Simulator for Realistic Carbon Nanotube (CNT) Structures Neophytos Neophytou, Diego Kienle, Eric Polizzi, Gerhard Klimeck, Mark Lundstrom

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 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 the 1D channel transport devices
  • Quantum mechanical investigation of the effects of atomistic defects in 1D transport

Impact/Insights:

  • 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 degrate the performance by 30%
  • Exponential increase in channel resistance as the number of defects increases (in small diameter CNTs)

Publication
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mistic quantum simulator for realistic CNT structures. The work is published in

Neophytos Neophytou's Pages

Biography A 3D atomistic quantum simulator for realistic CNT structures. The work is published in A 2D ballistic model for the investigation of atomistic bandstructure effects. Bandstructure effects in Si nanowire electron transport. Bandstructure effects in Si nanowire hole transport. Design for variability tolerance: On current variation in [110] PMOS nanowires. Quantum transport in III-V HEMTs for high performance logic applications

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