Transport properties of nano-devices: One-dimensional model study
Zhongxi Zhang, C.F. Destefani, Chris McDonald, Thomas Brabec
TL;DR
This paper investigates charge transport in nano-devices using a one-dimensional model, analyzing how barrier shape and resonances influence tunneling current through advanced quantum calculations.
Contribution
It introduces a comparative study of multi-configuration time-dependent Hartree-Fock and frozen core methods for nano-device transport analysis.
Findings
Barrier shape controls tunneling current magnitude
Resonance structures shape the current profile
Exchange and Coulomb correlation significantly affect transport
Abstract
A 1D model study of charge transport in nano-devices is made by comparing multi-configuration time dependent Hartree-Fock and frozen core calculations. The influence of exchange and Coulomb correlation on the tunneling current is determined. We identify the shape of the tunneling barrier and the resonance structure of the nano-device as the two dominant parameters determining the electron transport. Whereas the barrier shape determines the size of the tunneling current, the resonances determine the structure of the current.
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