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

Luisier, Mathieu; Klimeck, Gerhard

doi:10.1103/physrevb.80.155430

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

Journal Article · Thu Oct 01 00:00:00 EDT 2009 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/physrevb.80.155430· OSTI ID:1564709

Luisier, Mathieu; Klimeck, Gerhard

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.

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); UT-Battelle LLC/ORNL, Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1564709

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 80, Issue 15; ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (54)

A three-dimensional quantum simulation of silicon nanowire transistors with the effective-mass approximation Wang, Jing; Polizzi, Eric; Lundstrom, Mark Journal of Applied Physics, Vol. 96, Issue 4 https://doi.org/10.1063/1.1769089	journal	August 2004
A three-dimensional simulation of quantum transport in silicon nanowire transistor in the presence of electron-phonon interactions Jin, Seonghoon; Park, Young June; Min, Hong Shick Journal of Applied Physics, Vol. 99, Issue 12 https://doi.org/10.1063/1.2206885	journal	June 2006
Quantum transport length scales in silicon-based semiconducting nanowires: Surface roughness effects Lherbier, Aurélien; Persson, Martin P.; Niquet, Yann-Michel Physical Review B, Vol. 77, Issue 8 https://doi.org/10.1103/PhysRevB.77.085301	journal	February 2008
A hybrid method for the parallel computation of Green’s functions Petersen, Dan Erik; Li, Song; Stokbro, Kurt Journal of Computational Physics, Vol. 228, Issue 14 https://doi.org/10.1016/j.jcp.2009.03.035	journal	August 2009
Subband decomposition approach for the simulation of quantum electron transport in nanostructures Polizzi, E.; Ben Abdallah, N. Journal of Computational Physics, Vol. 202, Issue 1 https://doi.org/10.1016/j.jcp.2004.07.003	journal	January 2005
Quantum theory of nonequilibrium processes, I Danielewicz, P. Annals of Physics, Vol. 152, Issue 2 https://doi.org/10.1016/0003-4916(84)90092-7	journal	February 1984
Semiconductor superlattices: a model system for nonlinear transport Wacker, Andreas Physics Reports, Vol. 357, Issue 1 https://doi.org/10.1016/S0370-1573(01)00029-1	journal	January 2002
Brillouin-zone unfolding of perfect supercells having nonequivalent primitive cells illustrated with a $Si ∕ Ge$ tight-binding parameterization Boykin, Timothy B.; Kharche, Neerav; Klimeck, Gerhard Physical Review B, Vol. 76, Issue 3 https://doi.org/10.1103/PhysRevB.76.035310	journal	July 2007
Atomistic Full-Band Design Study of InAs Band-to-Band Tunneling Field-Effect Transistors Luisier, Mathieu; Klimeck, Gerhard IEEE Electron Device Letters, Vol. 30, Issue 6 https://doi.org/10.1109/LED.2009.2020442	journal	June 2009
Master-equation approach to the study of electronic transport in small semiconductor devices Fischetti, M. V. Physical Review B, Vol. 59, Issue 7 https://doi.org/10.1103/PhysRevB.59.4901	journal	February 1999
A high-performance, portable implementation of the MPI message passing interface standard Gropp, William; Lusk, Ewing; Doss, Nathan Parallel Computing, Vol. 22, Issue 6 https://doi.org/10.1016/0167-8191(96)00024-5	journal	September 1996
Empirical ${spds}^{*}$ tight-binding calculation for cubic semiconductors: General method and material parameters Jancu, Jean-Marc; Scholz, Reinhard; Beltram, Fabio Physical Review B, Vol. 57, Issue 11 https://doi.org/10.1103/PhysRevB.57.6493	journal	March 1998
Solid-phase diffusion mechanism for GaAs nanowire growth Persson, Ann I.; Larsson, Magnus W.; Stenström, Stig Nature Materials, Vol. 3, Issue 10 https://doi.org/10.1038/nmat1220	journal	September 2004
Nonequilibrium phonon effects on transport properties through atomic and molecular bridge junctions Asai, Yoshihiro Physical Review B, Vol. 78, Issue 4 https://doi.org/10.1103/PhysRevB.78.045434	journal	July 2008
Effect of strain on phonons in Si, Ge, and Si/Ge heterostructures Sui, Zhifeng; Herman, Irving P. Physical Review B, Vol. 48, Issue 24 https://doi.org/10.1103/PhysRevB.48.17938	journal	December 1993
Study of phonon modes in silicon nanocrystals using the adiabatic bond charge model Valentin, Audrey; Sée, Johann; Galdin-Retailleau, Sylvie Journal of Physics: Condensed Matter, Vol. 20, Issue 14 https://doi.org/10.1088/0953-8984/20/14/145213	journal	March 2008
Numerical methods for semiconductor device simulation Bank, R. E.; Rose, D. J.; Fichtner, W. IEEE Transactions on Electron Devices, Vol. 30, Issue 9 https://doi.org/10.1109/T-ED.1983.21257	journal	September 1983
A Self-Consistent Full 3-D Real-Space NEGF Simulator for Studying Nonperturbative Effects in Nano-MOSFETs Martinez, A.; Bescond, M.; Barker, J. R. IEEE Transactions on Electron Devices, Vol. 54, Issue 9 https://doi.org/10.1109/TED.2007.902867	journal	September 2007
Nonequilibrium Green's Function Treatment of Phonon Scattering in Carbon-Nanotube Transistors Koswatta, S. O.; Hasan, S.; Lundstrom, M. S. IEEE Transactions on Electron Devices, Vol. 54, Issue 9 https://doi.org/10.1109/TED.2007.902900	journal	September 2007
The Monte Carlo method for the solution of charge transport in semiconductors with applications to covalent materials Jacoboni, Carlo; Reggiani, Lino Reviews of Modern Physics, Vol. 55, Issue 3 https://doi.org/10.1103/RevModPhys.55.645	journal	July 1983
Atomistic Modeling of Gate-All-Around Si-Nanowire Field-Effect Transistors Pecchia, Alessandro; Salamandra, Luigi; Latessa, Luca IEEE Transactions on Electron Devices, Vol. 54, Issue 12 https://doi.org/10.1109/TED.2007.908883	journal	January 2007
Schrödinger equation Monte Carlo in three dimensions for simulation of carrier transport in three-dimensional nanoscale metal oxide semiconductor field-effect transistors Liu, Keng-Ming; Chen, Wanqiang; Register, Leonard F. Journal of Applied Physics, Vol. 104, Issue 11 https://doi.org/10.1063/1.3031303	journal	December 2008
Role of scattering in nanotransistors Svizhenko, A.; Anantram, M. P. IEEE Transactions on Electron Devices, Vol. 50, Issue 6 https://doi.org/10.1109/TED.2003.813503	journal	June 2003
Carrier-phonon interaction in small cross-sectional silicon nanowires Buin, A. K.; Verma, A.; Anantram, M. P. Journal of Applied Physics, Vol. 104, Issue 5 https://doi.org/10.1063/1.2974088	journal	September 2008
Onsite matrix elements of the tight-binding Hamiltonian of a strained crystal: Application to silicon, germanium, and their alloys Niquet, Y. M.; Rideau, D.; Tavernier, C. Physical Review B, Vol. 79, Issue 24 https://doi.org/10.1103/PhysRevB.79.245201	journal	June 2009
Dissipative transport in CNTFETs Pourfath, Mahdi; Kosina, Hans; Selberherr, Siegfried Journal of Computational Electronics, Vol. 6, Issue 1-3 https://doi.org/10.1007/s10825-006-0113-7	journal	January 2007
Diameter-controlled synthesis of single-crystal silicon nanowires Cui, Yi; Lauhon, Lincoln J.; Gudiksen, Mark S. Applied Physics Letters, Vol. 78, Issue 15, p. 2214-2216 https://doi.org/10.1063/1.1363692	journal	April 2001
Valence band effective-mass expressions in the ${sp}^{3} d^{5} s^{*}$ empirical tight-binding model applied to a Si and Ge parametrization Boykin, Timothy B.; Klimeck, Gerhard; Oyafuso, Fabiano Physical Review B, Vol. 69, Issue 11 https://doi.org/10.1103/PhysRevB.69.115201	journal	March 2004
Simplified LCAO Method for the Periodic Potential Problem Slater, J. C.; Koster, G. F. Physical Review, Vol. 94, Issue 6 https://doi.org/10.1103/PhysRev.94.1498	journal	June 1954
Two-dimensional quantum mechanical modeling of nanotransistors Svizhenko, A.; Anantram, M. P.; Govindan, T. R. Journal of Applied Physics, Vol. 91, Issue 4 https://doi.org/10.1063/1.1432117	journal	February 2002
High Performance Silicon Nanowire Field Effect Transistors Cui, Yi; Zhong, Zhaohui; Wang, Deli Nano Letters, Vol. 3, Issue 2 https://doi.org/10.1021/nl025875l	journal	February 2003
Multiband transmission calculations for nanowires using an optimized renormalization method Boykin, Timothy B.; Luisier, Mathieu; Klimeck, Gerhard Physical Review B, Vol. 77, Issue 16 https://doi.org/10.1103/PhysRevB.77.165318	journal	April 2008
Effect of scattering and contacts on current and electrostatics in carbon nanotubes Svizhenko, A.; Anantram, M. P. Physical Review B, Vol. 72, Issue 8 https://doi.org/10.1103/PhysRevB.72.085430	journal	August 2005
Phonon modes in Si [111] nanowires Thonhauser, T.; Mahan, G. D. Physical Review B, Vol. 69, Issue 7 https://doi.org/10.1103/PhysRevB.69.075213	journal	February 2004
A scalable distributed method for quantum-scale device simulation Cauley, Stephen; Jain, Jitesh; Koh, Cheng-Kok Journal of Applied Physics, Vol. 101, Issue 12 https://doi.org/10.1063/1.2748621	journal	June 2007
Inelastic transport theory from first principles: Methodology and application to nanoscale devices Frederiksen, Thomas; Paulsson, Magnus; Brandbyge, Mads Physical Review B, Vol. 75, Issue 20 https://doi.org/10.1103/PhysRevB.75.205413	journal	May 2007
Semiconductor Optics and Transport Phenomena Schäfer, W.; Wegener, M. Measurement Science and Technology, Vol. 13, Issue 10 https://doi.org/10.1088/0957-0233/13/10/703	journal	September 2002
Phonon- and surface-roughness-limited mobility of gate-all-around 3C-SiC and Si nanowire FETs Rogdakis, K.; Poli, S.; Bano, E. Nanotechnology, Vol. 20, Issue 29 https://doi.org/10.1088/0957-4484/20/29/295202	journal	July 2009
Atomistic Simulation of Nanowire Transistors Luisier, Mathieu; Schenk, Andreas Journal of Computational and Theoretical Nanoscience, Vol. 5, Issue 6 https://doi.org/10.1166/jctn.2008.2539	journal	June 2008
On the mobility versus drain current relation for a nanoscale MOSFET Lundstrom, M. S. IEEE Electron Device Letters, Vol. 22, Issue 6 https://doi.org/10.1109/55.924846	journal	June 2001
Many-Particle Physics Mahan, Gerald D. Springer New York, NY https://doi.org/10.1007/978-1-4613-1469-1	book	January 1990
Lasing from a single-quantum wire Hayamizu, Yuhei; Yoshita, Masahiro; Watanabe, Shinichi Applied Physics Letters, Vol. 81, Issue 26 https://doi.org/10.1063/1.1532111	journal	December 2002
Effect of growth orientation and surface roughness on electron transport in silicon nanowires Svizhenko, Alexei; Leu, Paul W.; Cho, Kyeongjae Physical Review B, Vol. 75, Issue 12 https://doi.org/10.1103/PhysRevB.75.125417	journal	March 2007
Growth and transport properties of complementary germanium nanowire field-effect transistors Greytak, Andrew B.; Lauhon, Lincoln J.; Gudiksen, Mark S. Applied Physics Letters, Vol. 84, Issue 21 https://doi.org/10.1063/1.1755846	journal	May 2004
Nonequilibrium semiconductor dynamics Binder, R.; Koch, S. W. Progress in Quantum Electronics, Vol. 19, Issue 4-5 https://doi.org/10.1016/0079-6727(95)00001-S	journal	January 1995
Brownian Motion of a Quantum Oscillator Schwinger, Julian Journal of Mathematical Physics, Vol. 2, Issue 3 https://doi.org/10.1063/1.1703727	journal	May 1961
Full band modeling of the excess current in a delta-doped silicon tunnel diode Rivas, Cristian; Lake, Roger; Frensley, William R. Journal of Applied Physics, Vol. 94, Issue 8 https://doi.org/10.1063/1.1606114	journal	January 2003
Nonequilibrium Green’s function based models for dephasing in quantum transport Golizadeh-Mojarad, Roksana; Datta, Supriyo Physical Review B, Vol. 75, Issue 8 https://doi.org/10.1103/PhysRevB.75.081301	journal	February 2007
Landauer formula for the current through an interacting electron region Meir, Yigal; Wingreen, Ned S. Physical Review Letters, Vol. 68, Issue 16 https://doi.org/10.1103/PhysRevLett.68.2512	journal	April 1992
High-performance fully depleted silicon nanowire (diameter /spl les/ 5 nm) gate-all-around CMOS devices Singh, N.; Agarwal, A.; Bera, L. K. IEEE Electron Device Letters, Vol. 27, Issue 5 https://doi.org/10.1109/LED.2006.873381	journal	May 2006
A simple kinetic equation for steady-state quantum transport Datta, S. Journal of Physics: Condensed Matter, Vol. 2, Issue 40 https://doi.org/10.1088/0953-8984/2/40/004	journal	October 1990
On the Validity of the Parabolic Effective-Mass Approximation for the I–V Calculation of Silicon Nanowire Transistors Wang, J.; Rahman, A.; Ghosh, A. IEEE Transactions on Electron Devices, Vol. 52, Issue 7 https://doi.org/10.1109/TED.2005.850945	journal	July 2005
Single and multiband modeling of quantum electron transport through layered semiconductor devices Lake, Roger; Klimeck, Gerhard; Bowen, R. Chris Journal of Applied Physics, Vol. 81, Issue 12 https://doi.org/10.1063/1.365394	journal	June 1997
Microscopic nonequilibrium theory of quantum well solar cells Aeberhard, U.; Morf, R. H. Physical Review B, Vol. 77, Issue 12 https://doi.org/10.1103/PhysRevB.77.125343	journal	March 2008

Similar Records

Atomistic simulation of electron and phonon transport in nano-devices

Conference · Sun Sep 01 00:00:00 EDT 2013 · 2013 Proceedings of the European Solid-State Device Research Conference (ESSDERC) · OSTI ID:1564709

Luisier, Mathieu; Rhyner, Reto

Pseudopotential-based electron quantum transport: Theoretical formulation and application to nanometer-scale silicon nanowire transistors

Journal Article · Thu Jan 21 00:00:00 EST 2016 · Journal of Applied Physics · OSTI ID:1564709

Fang, Jingtian; Vandenberghe, William G.; Fu, Bo; +1 more

Phonon-limited and effective low-field mobility in n- and p-type [100]-, [110]-, and [111]-oriented Si nanowire transistors

Journal Article · Fri Jan 21 00:00:00 EST 2011 · Applied Physics Letters · OSTI ID:1564709

Luisier, Mathieu

Related Subjects

Materials Science
Physics

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

Citation Formats

References (54)

Similar Records

Related Subjects