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Title: Atomistic full-band simulations of silicon nanowire transistors: Effects of electron-phonon scattering

Abstract

An atomistic full-band quantum transport simulator has been developed to study three-dimensional Si nanowire field-effect transistors in the presence of electron-phonon scattering. The nonequilibrium Green’s function (NEGF) formalism is solved in a nearest-neighbor sp3d5s∗ tight-binding basis. The scattering self-energies are derived in the self-consistent Born approximation to inelastically couple the full electron and phonon energy spectra. The band dispersion and the eigenmodes of the confined phonons are calculated using a dynamical matrix that includes the bond and the angle deformations of the nanowires. The optimization of the numerical algorithms and the parallelization of the NEGF scheme enable the investigation of nanowire structures with diameters up to 3 nm and lengths over 40 nm. It is found that the reduction in the device drain current, caused by electron-phonon scattering, is more important in the ON state than in the OFF state of the transistor. Ballistic transport simulations considerably overestimate the device ON currents by artificially increasing the charge injection mechanism at the source contact.

Authors:
;
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF), Oak Ridge, TN (United States); UT-Battelle LLC/ORNL, Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1564709
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 80; Journal Issue: 15; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
Materials Science; Physics

Citation Formats

Luisier, Mathieu, and Klimeck, Gerhard. Atomistic full-band simulations of silicon nanowire transistors: Effects of electron-phonon scattering. United States: N. p., 2009. Web. doi:10.1103/physrevb.80.155430.
Luisier, Mathieu, & Klimeck, Gerhard. Atomistic full-band simulations of silicon nanowire transistors: Effects of electron-phonon scattering. United States. doi:10.1103/physrevb.80.155430.
Luisier, Mathieu, and Klimeck, Gerhard. Thu . "Atomistic full-band simulations of silicon nanowire transistors: Effects of electron-phonon scattering". United States. doi:10.1103/physrevb.80.155430.
@article{osti_1564709,
title = {Atomistic full-band simulations of silicon nanowire transistors: Effects of electron-phonon scattering},
author = {Luisier, Mathieu and Klimeck, Gerhard},
abstractNote = {An atomistic full-band quantum transport simulator has been developed to study three-dimensional Si nanowire field-effect transistors in the presence of electron-phonon scattering. The nonequilibrium Green’s function (NEGF) formalism is solved in a nearest-neighbor sp3d5s∗ tight-binding basis. The scattering self-energies are derived in the self-consistent Born approximation to inelastically couple the full electron and phonon energy spectra. The band dispersion and the eigenmodes of the confined phonons are calculated using a dynamical matrix that includes the bond and the angle deformations of the nanowires. The optimization of the numerical algorithms and the parallelization of the NEGF scheme enable the investigation of nanowire structures with diameters up to 3 nm and lengths over 40 nm. It is found that the reduction in the device drain current, caused by electron-phonon scattering, is more important in the ON state than in the OFF state of the transistor. Ballistic transport simulations considerably overestimate the device ON currents by artificially increasing the charge injection mechanism at the source contact.},
doi = {10.1103/physrevb.80.155430},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 15,
volume = 80,
place = {United States},
year = {2009},
month = {10}
}

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