Gerhard Klimeck's Journal Publications

Submitted Articles

[XXX]
Martha Prada, Gerhard Klimeck, and Robert Joynt,
"Spin-orbit splittings in Si/SiGe quantum wells",
submitted for publication (2009). Abstract on arXiv:0908.2417.
[XXX]
Mathieu Luisier and Gerhard Klimeck,
"Numerical Strategies towards Peta-Scale Simulations of Nanoelectronics Devices ",
submitted for publication (2009).
[XXX]
Rajib Rahman, Seung H. Park, Gerhard Klimeck, Lloyd C. L. Hollenberg,
"Stark tuning of the charge states of a two-donor molecule in silicon",
submitted for publication (2009). Abstract on arXiv:0907.3929, pdf on Xarchive.
[XXX]
Timothy B. Boykin, Mathieu Luisier, and Gerhard Klimeck,
"Point form of the continuity equation in the empirical tight-binding theory",
submitted to Phys. Rev. B (2009).

Nanoelectronics

[127]
Gerhard Klimeck and Mathieu Luisier,
"Atonistic Modeling of Realistically Extended Semiconductor Devices with NEMO /OMEN",
accepted for publication in IEEE Computers in Science and Engineering (CISE) (2009).
[126]
Giuseppe C. Tettamanzi, Abhijeet Paul, Gabriel P. Lansbergen, Jan Verduijn, Sunhee Lee, Nadine Collaert, Serge Biesemans, Gerhard Klimeck and Sven Rogge,
"Thermionic Emission as a tool to study transport in undoped nFinFETs",
accepted for publication in IEEE Electron Deive Letters (2009).
[125]
Samarth Agarwal, Kyle H. Montgomery, Timothy B. Boykin, Gerhard Klimeck, and Jerry M. Woodall,
"Design Guidelines for True Green LEDs and High Efficiency Photovoltaics Using ZnSe/GaAs Digital Alloys",
accepted for publication in Electrochemical and Solid-State Letters (2009), DOI.
[124]
Mathieu Luisier and Gerhard Klimeck,
"Atomistic Full-Band Simulations of Si Nanowire Transistors with Electron-Phonon Scattering",
accpeted for publication in Phys. Rev. B (2009).
[123]
Rajib Rahman, G. P. Lansbergen, Seung H. Park, J. Verduijn, Gerhard Klimeck, S. Rogge, and Lloyd C. L. Hollenberg,
"Orbital Stark effect and quantum confinement transition of donors in silicon",
Phys. Rev. B, Vol. 80, 098936 (2009), 10.1103/PhysRevB.80.165314. Abstract on Xarchive 0904.4281, pdf on Xarchive.
[122]
Rajib Rahman, Seung H. Park, Timothy B. Boykin, Gerhard Klimeck, Sven Rogge, Lloyd C. L. Hollenberg,
"Gate induced g-factor control and dimensional transition for donors in multi-valley semiconductors",
Physical Review B, Vol. 80 134935 (2009). Abstract on Xarchive 0905.3200, pdf on Xarchive., also selected in the Virtual Journal of Nanoscale Science & Technology.
abstract, free pdf from Purdue Library.
[121]
Seung H. Park, Rajib Rahman, Gehard Klimeck, Lloyd C. L. Hollenberg,
"Mapping donor electron wave function deformations at sub-Bohr orbit resolution",
Phys. Rev. Letter, Vol. 103, 106802 (2009), Abstract on Xarchive, pdf on Xarchive., also selected for Virtual Journal of Quantum Information.
abstract, free pdf from Purdue Library.
[120]
Benjamin P. Haley, Gerhard Klimeck, Mathieu Luisier, Dragica Vasileska, Abhijeet Paul, Swaroop Shivarajapura, Diane L. Beaudoin,
"Computational nanoelectronics research and education at nanoHUB.org",
Journal of Computational Electronics, online July 2009, DOI 10.1007/s10825-009-0273-3.
[119]
Rajib Rahman, Seung H. Park, Jared H. Cole, Andrew D. Greentree, Richard P. Muller, Gerhard Klimeck, and Lloyd C. L. Hollenberg,
"Atomistic simulations of adiabatic coherent electron transport in triple donor systems",
Phys. Rev. B Vol. 80, 035302 (2009), DOI:10.1103/PhysRevB.80.035302., selected for Virtual Journal of Quantum Information / Volume 9 / Issue 7 / IMPLEMENTATIONS.
[118]
Mathieu Luisier, and Gerhard Klimeck,
"Performance analysis of statistical samples of graphene nanoribbon tunneling transistors with line edge roughness",
Applied Physics Letters, Vol. 94, 223505 (2009), DOI:10.1063/1.3140505, online article at journal site.
abstract, free pdf from Purdue Library.
[117]
Hui Zhao, Raseong Kim, Abhijeet Paul, Mathieu Luisier, Gerhard Klimeck, Fa-Jun Ma, Subhash C. Rustagi, Ganesh S. Samudra, Navab Singh, Guo-Qiang Lo, and Dim-Lee Kwong,
"Characterization and Modeling of Subfemtofarad Nanowire Capacitance Using the CBCM Technique",
IEEE Electron Device Letters Vol. 30, pp: 526 - 528 (2009). DOI: 10.1109/LED.2009.2015588. online article at journal site.
abstract, free pdf from Purdue Library.
[116]
Mathieu Luisier, and Gerhard Klimeck,
"Atomistic, Full-Band Design Study of InAs Band-to-Band Tunneling Field-Effect Transistors ",
IEEE Electron Device Letters, Vol. 30, pp. 602-604 (2009), DOI: 10.1109/LED.2009.2020442. online article.
abstract, free pdf from Purdue Library.
[115]
Neophytos Neophytou and Gerhard Klimeck,
"Design space for low sensitivity to size variations in [110] PMOS nanowire devices: The implications of anisotropy in the quantization mass", nano letters Vol. 9 (2), pp 623–630 (2009), Journal site.
abstract, free pdf from Purdue Library.
[114]
Muhammad Usman, Hoon Ryu, Insoo Woo, David S. Ebert, and Gerhard Klimeck,
"Moving towards nano-TCAD through multi-million atom quantum dot simulations matching experimental data",
IEEE Transactions on Nanotechnology, Vol. 8, Issue 3, pg. 330-344 (2009), DOI: 10.1109/TNANO.2008.2011900. IEEE electronic preprint, (also at http://arxiv.org/abs/0812.3814).
abstract, free pdf from Purdue Library.
[113]
Neerav Kharche, Seongmin Kim, Timothy B. Boykin, and Gerhard Klimeck,
"Valley Degeneracies in (111) Silicon Quantum Wells",
Applied Physics Letters, Vol. 94, Issue 4, id. 042101 (3 pages) (2009), APL abstract, APL paper. (also at cond-mat arXiv:0812.3681v1).
abstract, free pdf from Purdue Library.
[112]
Timothy B. Boykin, Neerav Kharche, and Gerhard Klimeck,
"Non-primitive rectangular cells for tight-binding electronic structure calculations",
Physica E Vol. 41, pp. 490 -494 (2009)
[111]
Amritanshu Palaria, Gerhard Klimeck, and Alejandro Strachan,
"Structures and energetics of Si nanotubes from molecular dynamics and density functional theory",
Phys. Rev. B, Vol. 78, 205315 (2008), selected for Virtual Journal of Nanoscale Science&Technology., abstract, free pdf from Purdue Library.
[110]
Mark S. Lundstrom, Gerhard Klimeck, George B. Adams III., Michael McLennan,
"HUB is where the heart is",
IEEE Nanotechnology Magazine, Vol. 2, Issue 1, March 2008 Page(s):28 - 31, article at IEEE.
abstract, free pdf from Purdue Library.
[109]
Neophytos Neophytou, Abhijeet Paul, and Gerhard Klimeck,
"Bandstructure Effects in Silicon Nanowire Hole Transport",
IEEE Transactions on Nanotechnology, Vol. 7, 710 - 719 (2008) - Special issue on nanowires, article at IEEE., also posted at cond-mat arXiv:0809.3492.
abstract, free pdf from Purdue Library
[108]
Nancy Wilkins-Diehr, Dennis Gannon, Gerhard Klimeck, Scott Oster, Sudhakar Pamidighantam,
"TeraGrid Science Gateways, Virtual Organizations and Their Impact on Science",
IEEE Computer, Vol. 41, Issue 11, Nov. 2008, Page(s):32 - 41, article at IEEE.
abstract, free pdf from Purdue Library
[107]
Raseong Kim, Neophytos Neophytou, Abhijeet Paul, Gerhard Klimeck, and Mark S. Lundstrom,
"Dimensionality in metal-oxide-semiconductor field-effect transistors: A comparison of one-dimensional and two-dimensional ballistic transistors",
J. Vac. Sci. Technol. B Vol 26, pg 1628 (2008), abstract, free pdf from Purdue Library.
[106]
Srikant Srinivasan, Gerhard Klimeck, and Leonid P. Rokhinson,
"Valley splitting in Si quantum dots embedded in SiGe",
Applied Physics Letters, Vol. 93, pg. 112102 (2008), abstract, free pdf from Purdue Library.
(also posted at cond-mat http://arxiv.org/abs/0808.1234).
[105]
Marek Korkusinski, Pawel Hawrylak, M. Zielinski, W. Sheng, and Gerhard Klimeck,
"Building semiconductor nanostructures atom by atom",
Microelectronics Journal Vol. 39 pg. 318-326 (2008), abstract, free pdf from Purdue Library.
[104]
Shaikh Ahmed, Neerav Kharche, Rajib Rahman, Muhammad Usman, Sunhee Lee, Hoon Ryu, Hansang Bae, Steve Clark, Benjamin Haley, Maxim Naumov, Faisal Saied, Marek Korkusinski, Rick Kennel, Michael McLennan, Timothy B. Boykin, and Gerhard Klimeck ,
"Multimillion Atom Simulations with NEMO 3-D ",
Springer Encyclopedia for Complexity, Editor-in-chief: Meyers, Robert A, ISBN: 978-0-387-75888-6, June 2009, pg. 5745-5783,
abstract at arXiv:0901.1890v1, full paper at arXiv:0901.1890v1 [physics.comp-ph].
[103]
Song Li, Shaikh Ahmed, Gerhard Klimeck, and Eric Darve,
"Computing entries of the inverse of a sparse matrix using the FIND algorithm",
Journal of Computational Physics, Vol 227, pp. 9408-9427 (2008), abstract, free pdf from Purdue Library, article at Journal site.
[102]
Timothy B. Boykin, Neerav Kharche and Gerhard Klimeck,
"Valley splitting in finite barrier quantum wells",
Phys. Rev. B, Vol. 77, 245320 (2007), abstract, free pdf from Purdue Library.
[101]
G.P. Lansbergen, R. Rahman, C.J. Wellard, P.E. Rutten, J. Caro, N. Collaert, S. Biesemans, I. Woo, G. Klimeck, L.C.L. Hollenberg, and S. Rogge
"Gate induced quantum confinement transition of a single dopant atom in a Si FinFET",
Nature Physics, Vol. 4, pg. 656 (2008), abstract, free pdf from Purdue Library.
[100]
Neophytos Neophytou, Abhijeet Paul, Mark Lundstrom and Gerhard Klimeck
"Bandstructure Effects in Silicon Nanowire Electron Transport ",
IEEE Transaction on Electron Devices, Vol. 55, Issue 6, June 2008, pg. 1286 - 1297. abstract, free pdf from Purdue Library, article at IEEE.
[99]
Yang Liu, Neophytos Neophytou, Gerhard Klimeck, and Mark S. Lundstrom
"Band Structure Effects on the Performance of III-V Ultra-thin-body SOI MOSFETs ",
IEEE Transaction on Electron Devices, Vol. 55, Issue 5, pg. 1116 - 22 (2008), abstract, free pdf from Purdue Library, article at IEEE.
[98]
Gianluca Fiori, Giuseppe Iannaccone, and Gerhard Klimeck,
"Corrections to: A Three-Dimensional Simulation Study of the Performance of Carbon Nanotube Field-Effect Transistors With Doped Reservoirs and Realistic Geometry",
IEEE Transaction on Electron Devices, Vol. 55, No. 4, pg. 1094-5 (2008), abstract, free pdf from Purdue Library, article at IEEE.
[97]
Gerhard Klimeck, Michael McLennan, Sean B. Brophy, George B. Adams III, Mark S. Lundstrom,
"nanoHUB.org: Advancing Education and Research in Nanotechnology",
IEEE Computers in Engineering and Science (CISE), Vol. 10, pg. 17-23 (2008), abstract, free pdf from Purdue Library, article at IEEE.
[96]
Timothy B. Boykin, and Mathieu Luisier, and Gerhard Klimeck,
"Multi-band transmission calculations for nanowires using an optimized renormalization method",
Phys Rev B, Vol. 77, 165318 (2008), abstract, free pdf from Purdue Library.
[95]
Maxim Naumov, Sunhee Lee, Ben Haley, Rajib Rahman, Hoon Ryu, Faisal Saied, Steve Clark, and Gerhard Klimeck,
"Eigenvalue Solvers for Atomistic Simulations of Electronic Structures with NEMO-3D",
Journal of Computational Electronics, 2008, Vol. 7, pg. 297–300 (2008), abstract, free pdf from Purdue Library, online article at Journal site.
[94]
Roksana Golizadeh-Mojarad, A.N.M. Zainuddin, Shaikh S. Ahmed, Gerhard Klimeck, and Supriyo Datta,
"Atomistic Non-equilibrium Green's Function Simulations of Graphene Nano-Ribbons in the Quantum Hall Regime",
Journal of Computational Electronics, 2007, Vol. 7, pg. 407–410 (2008), abstract, free pdf from Purdue Library, online article at Journal site.
[93]
Neerav Kharche, Mathieu Luisier, Timothy B. Boykin, and Gerhard Klimeck,
"Electronic Structure and Transmission Characteristics of SiGe Nanowires",
Journal of Computational Electronics, 2007, Vol. 7, pg. 350–354 (2008), abstract, free pdf from Purdue Library, online article at Journal site.
[92]
Neophytos Neophytou, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck,
"Simulation of nanowire transistors: Atomistic vs. Effective Mass Models",
Journal of Computational Electronics, 2007, Vol. 7, pg. 363–366 (2008), abstract, free pdf from Purdue Library, online article at Journal site.
[91]
Bhaskaran Muralidharan, Hoon Ryu, Z. Huang, and Gerhard Klimeck,
"NEMO-3D based Atomistic Simulation of a Double Quantum Dot Structure for Spin-Blockaded Transport",
Journal of Computational Electronics, Vol 7, pg. 403–406 (2008), abstract, free pdf from Purdue Library.
[90]
Yang Liu, Neophytos Neophytou, Tony Low, Gerhard Klimeck, and Mark S. Lundstrom
"A Tight-binding Study of the Ballistic Injection Velocity for Ultra-thin-body SOI MOSFETs",
IEEE Transaction on Electron Devices, Vol. 55, Issue 3, pg. 866-71 (2008), abstract, free pdf from Purdue Library, article at IEEE.
[89]
Rajib Rahman, Cameron. J. Wellard, Forrest R. Bradbury, Marta Prada, Jared H. Cole, Gerhard Klimeck, and Lloyd C. L. Hollenberg
"High precision quantum control of single donor spins in Si",
Physical Review Letters, Vol 99, pg 036403 (2007),abstract, free pdf from Purdue Library, article from AIP., selected as an article in Virtual Journal of Nanoscale Science Technology also posted on arxiv.org/abs/0705.2079
[88]
Timothy B. Boykin, Neerav Kharche, and Gerhard Klimeck,
"Brillouin-zone unfolding of perfect supercells having nonequivalent primitive cells illustrated with a Si / Ge tight-binding parameterization",
Phys. Rev. B Vol 76, 035310 (2007), abstract, free pdf from Purdue Library.
[87]
Ahmet Ali Yanik, Gerhard Klimeck, and Supriyo Datta
"Quantum Transport with Spin Dephasing: A Nonequilibrium Green's function Approach",
Phys. Rev. Vol. 76, 045213 (2007), abstract, free pdf from Purdue Library, selected as an article in the July 30, 2007 issue of Virtual Journal of Nanoscale Science Technology, also posted cond-mat/0605037 .
[86]
Gerhard Klimeck, Shaikh Ahmed, Neerav Kharche, Marek Korkusinski, Muhammad Usman, Marta Prada, and Timothy B. Boykin
"Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part II - Applications",
(INVITED) Special Issue on Nanoelectronic Device Modeling in IEEE Transactions on Electron Devices, Vol. 54,  Issue 9,  Sept. 2007 Page(s):2090 - 2099 (2007), preprint, abstract, free pdf from Purdue Library, article at IEEE.
[85]
Gerhard Klimeck, Shaikh Ahmed, Hansang Bae, Neerav Kharche, Rajib Rahman, Steve Clark, Benjamin Haley, Sunhee Lee, Maxim Naumov, Hoon Ryu, Faisal Saied, Marta Prada, Marek Korkusinski, and Timothy B. Boykin,
"Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part I - Models and Benchmarks",
(INVITED) Special Issue on Nanoelectronic Device Modeling in IEEE Transactions on Electron Devices, Vol. 54,  Issue 9,  Sept. 2007, Page(s):2079 - 2089 (2007), preprint, abstract, free pdf from Purdue Library, article at IEEE.
[84]
Timothy B. Boykin, Neerav Kharche, and Gerhard Klimeck
"Evolution time and energy uncertainty",
Eur. J. Phys. 28 (2007) 673-678 (2007), preprint, abstract, free pdf from Purdue Library.
[83]
Neophytos Neophytou, Shaikh Ahmed and Gerhard Klimeck
"Influence of vacancies on metallic nanotube transport properties",
Applied Physics Letters, Vol 90, 182119 (2007), preprint, abstract, free pdf from Purdue Library.
[82]
Gianluca Fiori, Giuseppe Iannacone, and Gerhard Klimeck
"Coupled mode space approach for the simulation of realistic Carbon Nanotube Field Effect Transistors",
IEEE Transaction on Nanotechnology, Vol. 6, pg. 475-480 (2007), preprint, abstract, free pdf from Purdue Library, article at IEEE.
[81]
Gengchiau Liang, Jie Xiang, Neerav Kharche, Gerhard Klimeck, Charles M. Lieber, and Mark Lundstrom,
"Performance Analysis of a Ge/Si Core/Shell Nanowire Field Effect Transistor", Nano letters, Vol. 7, 642-646 (2007), preprint, also posted on also posted on arxiv.org/abs/cond-mat/0611226.
[80]
Shaikh Ahmed, Gerhard Klimeck, Derrick Kearney, Michael McLennan, and M. P. Anantram,
"Quantum Simulations of Dual Gate MOSFET Devices: Building and Deploying Community Nanotechnology Software Tools on nanoHUB.org",
Journal of High Speed Electronics and Systems, Vol. 17, No 3, pp. 485-494 (2007), preprint, abstract from Purdue Library.
[79]
Neerav Kharche, Marta Prada, Timothy B. Boykin, and Gerhard Klimeck
"Valley-splitting in strained Silicon quantum wells modeled with 2 degree miscuts, step disorder, and alloy disorder",
Applied Phys. Lett. Vol. 90, 092109 (2007), preprint, abstract, free pdf from Purdue Library.
[78]
Clemens Heitzinger and Gerhard Klimeck,
"Computational aspects of the three-dimensional feature-scale simulation of silicon-nanowire field-effect sensors for DNA detection", Journal of Computational Electronics, Vol. 6, pg. 387-390, (2007), online article, preprint.
abstract, free pdf from Purdue Library.
[77]
Mathieu Luisier, Andreas Schenk, Wolfgang Fichtner, and Gerhard Klimeck,
"Transport Calculation of Semiconductor Nanowires Coupled to Quantum Well Reservoirs", Journal of Computational Electronics, Vol. 6, pg. 199-202, 2007, preprint, abstract, free pdf from Purdue Library.
[76]
Neophytos Neophytou, Shaikh Ahmed, and Gerhard Klimeck,
"Non-Equilibrium Green's Function (NEGF) Simulation of Metallic Carbon Nanotubes including Vacancy Defects", Journal of Computational Electronics, Vol. 6, pg. 317-320, 2006, online article, preprint, abstract, free pdf from Purdue Library.
[75]
Vladimir V. Mitin, Nizami Z. Vagidov, Mathieu Luisier, and Gerhard Klimeck,
"Energy Dispersion Relations for Holes in Silicon Quantum Wells and Quantum Wires", Journal of Computational Electronics Vol. 6, pg. 227-230, 2007, online article, preprint, abstract, free pdf from Purdue Library.
[74]
Timothy B. Boykin, Neerav Kharche, Gerhard Klimeck, Marek Korkusinski
"Approximate bandstructures of semiconductor alloys from tight-binding supercell calculations",
J. Phys.: Condens. Matter 19 (2007) 036203 (14pp), preprint, abstract, free pdf from Purdue Library.
[73]
Timothy B. Boykin, Mathieu Luisier, Andreas Schenk, Neerav Kharche, Gerhard Klimeck
"The electronic structure and transmission characteristics of AlGaAs nanowires",
IEEE Transactions on Nanotechnology, Vol. 6, No. 1, 43-7 (2007), preprint, abstract, free pdf from Purdue Library, article at IEEE.
[72]
Wei Qiao, Michael Mclennan, Rick Kennell, David Ebert, and Gerhard Klimeck
"Hub-based Simulation and Graphics Hardware Accelerated Visualization for Nanotechnology Applications",
IEEE Transactions on Visualization and Computer Graphics, Vol. 12, pg. 1061-1068 (2006), preprint, abstract, free pdf from Purdue Library, article at IEEE.
[71]
Mathieu Luisier, Andreas Schenk, Wolfgang Fichtner, and Gerhard Klimeck
"Atomistic Simulation of Nanowires in the sp3d5s* Tight-Binding Formalism: from Boundary Conditions to Strain Calculations",
Phys. Rev. B 74, 205323 (2006), preprint, abstract, free pdf from Purdue Library.
[70]
Gianluca Fiori, Giuseppe Iannaccone, and Gerhard Klimeck
"A Three-dimensional simulation study of the performance of Carbon Nanotube Field Effect Transistors with doped reservoirs and realistic geometry",
IEEE Transactions on Electron Devices, vol 53, pg 1782, (2006), preprint, abstract, free pdf from Purdue Library, also posted on arxiv.org/abs/cond-mat/0512275, article at IEEE.
Corrections to this article [98], Volume: 55 , Issue: 4, On page(s): 1094-1095, posted at IEEE.
[69]
Marek Korkusinski, Gerhard Klimeck,
"Atomistic simulations of long-range strain and spatial asymmetry molecular states of seven quantum dots",
Journal of Physics: Conference Series Vol. 38, pg 75-78 (2006), preprint, abstract, free pdf from Purdue Library.
[68]
Timothy B. Boykin, Neerav Kharche, Gerhard Klimeck,
"Allowed wavevectors under the application of incommensurate periodic boundary conditions",
European Journal of Physics, vol 27, p 5 (2006), preprint, abstract, free pdf from Purdue Library.
[67]
V. P. Drachev, W. Cai, U. Chettiar, H.-K. Yuan, A. K. Sarychev, A. V. Kildishev, G. Klimeck, and V. M. Shalaev,
"Experimental verification of an optical negatve-index material",
Laser Phys. Lett. Vol. 3, 49-55 (2006).
[66]
A. S. Martins, Timothy B. Boykin, Gerhard Klimeck, and Belita Koiller,
"Conduction band tight-binding description for silicon applied to P donors in Si",
Phys. Rev. B Vol. 72 pg. 193204 (2005), preprint, abstract, free pdf from Purdue Library. Also posted on arxiv.org/abs/cond-mat/0612240.
[65]
Yong S. Joe, Arkady M. Satanin, and Gerhard Klimeck,
"Interactions of Fano resonances in the transmission for an Aharonov-Bohm ring with two embedded quantum dots in the presence of a magnetic field",
Physical Review B, Vol. 72, pg. 115310 (2005),
abstract, free pdf from Purdue Library, selected for the September 26, 2005 issue of Virtual Journal of Nanoscale Science & Technology.
[64]
Timothy B. Boykin and Gerhard Klimeck,
"The discretized Schrödinger equation for the finite square well and its relationship to solid state physics",
European Journal of Physics, Vol. 26 pp. 865–881(2005), preprint, abstract, free pdf from Purdue Library.
[63]
Jing Wang, Anisur Rahman, Avik Ghosh, Gerhard Klimeck and Mark Lundstrom
"On the Validity of the Parabolic Effective-Mass Approximation for the Current-Voltage Calculation of Silicon Nanowire Transistors",
IEEE Transactions on Electron Devices, 52 (7): 1589-1595 (2005), preprint, abstract, free pdf from Purdue Library. Also posted on arxiv.org/abs/cond-mat/0412278, Article at IEEE.
[62]
Yun Zheng, Cristian Rivas, Roger Lake, Khairul Alam, Timothy B. Boykin, and Gerhard Klimeck
"Electronic Properties of Silicon Nanowires",
IEEE Transactions on Electron Devices, Vol. 52 (6): 1097-1103 (2005).
abstract, free pdf from Purdue Library, Article at IEEE.
[61]
Jeremy Green, Timothy B. Boykin, Corrie D. Farmer, Michel Garcia, Charles N. Ironside, Gerhard Klimeck, Roger Lake, and Colin R. Stanley,
"Quantum cascade laser gain medium modeling using a second-nearest-neighbor sp3s* tight-binding model",
Superlattices and Microstructures, Vol. 37, pg. 410-424 (2005), abstract, free pdf from Purdue Library.
[60]
Timothy B. Boykin, Gerhard Klimeck, Paul von Allmen, Seungwon Lee, and Fabiano Oyafuso,
"Valley-splitting in V-shaped quantum wells",
Journal of Applied Physics, Vol. 97, pg. 113702 (2005).
[59]
"Smooth Quantum Hydrodynamic Model vs. NEMO Simulation of a Resonant Tunneling Diode",
Carl L. Gardner, Gerhard Klimeck, and Christian Ringhofer,
Journal of Computational Electronics, Vol. 3, No. 2, 95-102, 2004. online article, abstract, free pdf from Purdue Library.
[58]
Jing Wang, Anisur Rahman, Avik Ghosh, Gerhard Klimeck and Mark Lundstrom
"Performance Evaluation of Silicon Nanowire Transistors with Atomic-basis Dispersion Relations",
in Applied Phys. Lett. Vol. 86 (9): Art. No. 093113 (2005), preprint, abstract, free pdf from Purdue Library.
selected for the March 7, 2005 issue of Virtual Journal of Nanoscale Science & Technology, also posted on arxiv.org/abs/cond-mat/0410756 .
[57]
Timothy B. Boykin and Gerhard Klimeck
"Practical Application of Zone-Folding Concepts in Tight-Binding",
Physical Review B, V71, 115215 (2005),
abstract, free pdf from Purdue Library, Also selected for Virtual Journal of Nanoscale Science and Technology.
[56]
Anisur Rahman, Gerhard Klimeck, Mark Lundstrom, Nizami Vagidov, and Timothy B. Boykin
"Atomistic Approach for Nano-Scale Devices at the Scaling Limit and Beyond - Valley Splitting in Si",
Japanese Journal of Applied Physics Vol. 44, No. 4B, pp. 2187-2190 (2005), abstract, free pdf from Purdue Library.
[55]
Seungwon Lee, Paul von Allmen, Fabiano Oyafuso, Gerhard Klimeck, K. Birgitta Whaley
"Effect of electron-nuclear spin interactions on electron-spin qubits localized in self-assembled quantum dots",
Journal of Applied Physics, Vol. 97, 043706 (2005), abstract, free pdf from Purdue Library.
Also selected for Virtual Journal of Nanoscale Science and Technology. Also posted on arxiv.org/abs/quant-ph/0403122
[54]
Timothy B. Boykin, Gerhard Klimeck, M. A. Eriksson, Mark Friesen, S. N. Coppersmith, Paul von Allmen, Fabiano Oyafuso, and Seungwon Lee,
"Valley splitting in low-density quantum-confined heterostructures studied using tight-binding models",
Phys. Rev. B. Vol. 70, 165325 (2004), abstract, free pdf from Purdue Library.
[53]
Olga L. Lazarenkova, Paul von Allmen, Fabiano Oyafuso, Seungwon Lee, and Gerhard Klimeck,
"Effect of anharmonicity of the strain energy on band offsets in semiconductor nanostructures",
Appl. Phys. Lett. 85, 4193 (2004), abstract, free pdf from Purdue Library. Also posted on arxiv.org/abs/cond-mat/0405627.
[52]
Seungwon Lee, Olga L. Lazarenkova, Fabiano Oyafuso, Paul von Allmen, and Gerhard Klimeck,
"Effect of wetting layers on the strain and electronic structure of InAs self-assembled quantum dots",
Phys. Rev. B. Vol. 70, pg. 125307 (2004), abstract, free pdf from Purdue Library.
Also selected for Virtual Journal of Nanoscale Science and Technology.Also posted on arxiv.org/abs/cond-mat/0405019
[51]
Timothy B. Boykin and Gerhard Klimeck,
"The discretized Schrodinger equation and simple models for semiconductor quantum wells",
Eur. J. Phys., Vol. 25 No 4, 503-514 (2004), abstract, free pdf from Purdue Library.
[50]
Olga L. Lazarenkova, Paul von Allmen, Fabiano Oyafuso, Seungwon Lee, and Gerhard Klimeck
"An atomistic model for the simulation of acoustical phonons, strain distribution, and Grüneisen coefficients in zinc-blende semiconductors",
Superlattices and Microstructures, Vol 34, pg. 553-556 (2004), abstract, free pdf from Purdue Library.
[49]
Seungwon Lee, Fabiano Oyafuso, Paul von Allmen, and Gerhard Klimeck
"Boundary conditions for the electronic structure of finite-extent, embedded semiconductor nanostructures with empirical tight-binding model",
Phys. Rev. B 69, 045316 (2004) also available at cond-mat-0311461.Also posted on arxiv.org/abs/cond-mat/0311461.
[48]
Timothy B. Boykin, Gerhard Klimeck, and Fabiano Oyafuso
"Valence band effective mass expressions in the sp3d5s* empirical tight-binding model applied to a new Si and Ge parameterization",
Phys. Rev. B. 69, 115201, No 11 (2004)
[47]
Timothy B. Boykin, Gerhard Klimeck, Mark Eriksson, Mark Friesen, S. N. Coppersmith, Paul von Allmen, Fabiano Oyafuso, and Seungwon Lee
"Valley splitting in strained silicon quantum wells",
Applied Physics Letters, Vol. 84, pg. 115-117, 2004, also available on cond-mat-0309663.
[46]
Gerhard Klimeck,
"Quantum and semi-classical transport in RTDs in NEMO 1-D",
Journal of Computational Electronics, Vol 2, pg. 177-182, 2003. online article, Preprint
[45]
Christian Rivas, Roger Lake, William R. Frensley, Gerhard Klimeck, Phillip E. Thompson, Karl D. Hobart, Sean L. Rommel, and Paul R. Berger,
"Full Band Modeling of the Excess Current in a Delta-Doped MBE Grown Silicon Tunnel Diode",
View Abstract, Journal of Appl. Phys., Vol 94, No. 8, pg 5005-5013 (2003).
[44]
"Strain Effects in large-scale atomistic quantum dot simulations",

Fabiano Oyafuso, Gerhard Klimeck, Paul von Allmen, Tim Boykin, and R. Chris Bowen,
Phys. Stat. Sol. (b), Vol. 239, p 71-79 (2003).
View Abstract, request PDF preprint document.
[43]
"Off-Center Electron Transport and Breakdown of Tsu-Esaki Formula in Resonant Tunneling Diodes due to Incoherent Scattering",

Titus Sandu, Gerhard Klimeck, and Wiley Kirk,
Phys. Rev. B. Vol 68, pg 115320, (2003).
View Abstract, request PDF preprint document.
[42]
"Disorder Induced Broadening in Multimillion Atom Alloyed Quantum Dot Systems",

Fabiano Oyafuso, Gerhard Klimeck, R. Chris Bowen, Timothy B. Boykin, and Paul von Allmen
Phys. Stat. Sol. (c), vol 0004, pg 1149-1152 (2003).
[41]
"3-D Atomistic Nanoelectronic Modeling on High Performance Clusters: Multimillion Atom Simulations",

Gerhard Klimeck, Fabiano Oyafuso, R. Chris Bowen, Timothy B. Boykin, Thomas A. Cwik, Edith Huang, and Edward Vinyard
Superlattices and Microstructures, Vol 31/2, pg 171-179, 2002.
Abstract, PDF.
[40]
"Parallelization of the Nanoelectronic Modeling Tool (NEMO 1-D) on a Beowulf Cluster",

Gerhard Klimeck
Journal of Computational Electronics, Vol 1, Issue 1-2, pp 75-79 (2002). online article, Abstract, PDF.
[39]
"Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms",

Fabiano Oyafuso, Gerhard Klimeck, R. Chris Bowen, and Timothy B. Boykin
Journal of Computational Electronics, Vol 1. Issue 3, pp. 317-321 (2002), DOI:10.1023/A:1020774819509.
Abstract, PDF.
[38]
"Many-body levels of multiply charged and laser-excited InAs nanocrystals modeled by empirical tight binding",

Seungwon Lee, Jeungnim Kim, Lars Jönsson, John W. Wilkins, Garnett Bryant, and Gerhard Klimeck,
Phys. Rev. B 66, 235307 (2002).
Also selected for Virtual Journal of Nanoscale Science and Technology.
[37]
"Diagonal parameter shifts due to nearest-neighbor displacements in empirical tight-binding theory",

Timothy B. Boykin, Gerhard Klimeck, R. Chris Bowen, and Fabiano Oyafuso
Phys. Rev. B 66, 125207 (2002).
[36]
"Development of a Nanoelectronic 3-D (NEMO 3-D) Simulator for Multimillion Atom Simulations and Its Application to Alloyed Quantum Dots" (INVITED),

Gerhard Klimeck, Fabiano Oyafuso, Timothy B. Boykin, R. Chris Bowen, and Paul von Allmen
Computer Modeling in Engineering and Science (CMES) Volume 3, No. 5 pp 601-642 (2002), ISSN: 1526-1492. paper at journal site
View abstract and free PDF at Purdue.
[35]
"Electromagnetic coupling and gauge invariance in the empirical tight-binding method",

Timothy B. Boykin, R. Chris Bowen, and Gerhard Klimeck,
Physical Review B, Vol 63, pg. 245314 (2001).
[34]
"Strong wavevector dependence of hole transport in heterostructures",

Gerhard Klimeck, R. Chris Bowen, and Timothy B. Boykin,
Superlattices and Microstructures, Vol 29, No. 3, pg. 187-216 (2001).
View Abstract, PDF.
[33]
"Electron-hole correlations in semiconductor quantum dots with tight-binding wave functions",

Seungwon Lee, Lars Jönsson, John W. Wilkins, Garnett Bryant, and Gerhard Klimeck, Phys. Rev. B Vol. 63, 195318 (2001).
View Abstract ,paper, or also posted on arxiv.org/abs/cond-mat/0011246
Also selected for Virtual Journal of Nanoscale Science and Technology.
[32]
"Indirect bandgap-like current flow in direct bandgap electron resonant tunneling diodes",
Gerhard Klimeck,
Physica Status Solidi (b) Vol. 226, pg. 9-19 (2001)
Abstract, PDF.
[31]
"Full Band Simulation of Indirect Phonon-Assisted Tunneling in a Silicon Tunnel Diode with Delta-Doped Contacts",

Christian Rivas, Roger Lake, Gerhard Klimeck, William R. Frensley, Massimo V. Fischetti, Phillip E. Thompson, Sean L. Rommel, and Paul R. Berger
Applied Physics Letters, Vol. 78, pg 814, (2001).
View Abstract.
[30]
"Off Zone Center (Indirect Bandgap Like) Hole Transport in Heterostructures",

Gerhard Klimeck, R. Chris Bowen, and Timothy B. Boykin,
Phys. Rev. B., Vol 63, pg. 195310 (2001)
View Abstract, PDF.
[29]
"sp3s* Tight-Binding Parameters for Transport Simulations in Compound Semiconductors",

Gerhard Klimeck, R. Chris Bowen, Timothy B. Boykin, and Thomas A. Cwik,
Superlattices and Microstructures Vol. 27, pp. 519-524 (2000).
View Abstract, PDF.
[28]
"Si tight-binding parameters from genetic algorithm fitting",

Gerhard Klimeck, R. Chris Bowen, Timothy B. Boykin, Carlos Salazar-Lazaro, Thomas A. Cwik, and Adrian Stoica,
Superlattices and Microstructures, Vol. 27, No. 2/3, Mar 2000, pp. 77-88.
View Abstract, PDF.
[27]
"Resonant-tunneling diodes with emitter prewells",

Timothy B. Boykin, R. Chris Bowen, Gerhard Klimeck, and Kevin L. Lear,
Appl. Phys. Lett, Vol. 75, 1302 (1999).
[26]
"Valence-band warping in tight-binding models",

Timothy B. Boykin, Lisa J. Gamble, Gerhard Klimeck, and R. Chris Bowen,
Phys. Rev. B Vol 59, 7301 (1999).
[25]
"Interface effects in tunneling models with identical real and complex dispersions.",

Timothy B. Boykin, Roger K. Lake, Gerhard Klimeck, and Mukund Swaminathan,
Phys. Rev. B Vol 59, 7316 (1999).

NEMO Related Work at Raytheon / TI / UTD

[24]
Gerhard Klimeck, Dan Blanks, Roger Lake, R. Chris Bowen, Chenjing L. Fernando, Manhua Leng, William R. Frensley, Dejan Jovanovic, and Paul Sotirelis,
"Writing Research Software in a Large Group for the NEMO Project",
VLSI Design, Vol 8, p 79 (1998).
[23]
"Room temperature operation of epitaxially grown Si/Si_0.5Ge_0.5/Si resonant interband tunneling diodes",

Seal L. Rommel, Thomas E. Dillon, M. W. Dashiell, H. Feng, J. Kolodzey, Paul R. Berger, Phillip E. Thompson, Karl D. Hobart, Roger Lake, Alan C. Seabaugh, Gerhard Klimeck and Daniel K. Blanks,
Applied Physics Letters, Vol. 73, 2191 (1998).
[22]
"Numerical Approximations to the Treatment of Interface Roughness Scattering in Resonant Tunneling Diodes",
Gerhard Klimeck, Roger Lake and Daniel K. Blanks,
Semicond. Sci. Technology, Vol 13, pg. A165 (1998).
[21]
"Interface Roughness and Polar Optical Phonon Scattering in InGaAs/AlAs/InAs RTDs",
Roger Lake, Gerhard Klimeck and Daniel K. Blanks,
Semicond. Sci. Technology, Vol 13, pg. A163 (1998).
[20]
Gerhard Klimeck, Roger. K. Lake, R. Chris Bowen, Chenjing L. Fernando and William R. Frensley,
"Resolution of Resonances in a General Purpose Quantum Device Simulator (NEMO)",
VLSI Design, Vol. 6, p. 107 (1998).
[19]
Roger. K. Lake, Gerhard Klimeck, R. Chris Bowen, Dejan Jovanovic, Paul Sotirelis and William R. Frensley,
"A Generalized Tunneling Formula for Quantum Device Modeling",
VLSI Design, Vol. 6, pg 9 (1998).
[18]
"Role of interface roughness scattering in self-consistent resonant tunneling diode simulation",

Gerhard Klimeck, Roger Lake and Daniel K. Blanks,
Phys. Rev. B, Vol. 58, 7279 (1998).
[17]
"Effective Mass Reproducibility of the Nearest-Neighbor sp3s* Models: Analytic Rsults",

Timothy B. Boykin, Gerhard Klimeck, R. Chris Bowen, and Roger Lake,
Phys. Rev. B Vol 56, 4102 (1997).
[16]
Gerhard Klimeck, Roger Lake, Dan Blanks, Chenjing L. Fernando, R. Chris Bowen, Ted Moise, and Y. C. Kao,
"The Effects of Electron Screening Length and Emitter Quasi-Bound States on the Polar-Optical Phonon Scattering in Resonant Tunneling Diodes",
Physica Status Solidi (b), Vol 204, 408 (1997).
[15]
Roger Lake, Gerhard Klimeck, R. Chris Bowen, Dejan Jovanovic, Dan Blanks, Mukund Swaminathan,
"Quantum Transport with Band-Structure and Schottky Contatcs",
Physica Status Solidi (b), Vol 204, 354 (1997).
[14]
"Single and multiband modeling of quantum electron transport through layered semiconductor devices",
Roger Lake, Gerhard Klimeck, R. Chris Bowen and Dejan Jovanovic,
J. of Appl. Phys. 81, 7845 (1997).
[13]
"Quantitative Resonant Tunneling Diode Simulation",
R. Chris Bowen, Gerhard Klimeck, Roger Lake, William R. Frensley and Ted Moise,
J. of Appl. Phys. 81, 3207 (1997).
[12]
Roger K. Lake, Gerhard Klimeck, R. Chris Bowen, Chenjing L. Fernando, Manhua Leng, Ted Moise and Y. C. Kao,
"Interface Roughness and Polar Optical Phonon Scattering And the Valley Current in Resonant Tunneling Devices",
Superlattices and Microstructures, Vol. 20, p.279 (1996).
[11]
"Ultrafast Characteristics of InGaP/InGaAlP Laser Amplifiers",

Jim A Tatum, Duncan L. MacFarlane, R. Chris Bowen, Gerhard Klimeck and William R. Frensley,
IEEE J. of Quantum Electronics, Vol. 32, p.664 (1996), article at IEEE.
[10]
"Quantum Device Simulation with a Generalized Tunneling Formula",

Gerhard Klimeck, Roger K. Lake, R. Chris Bowen, William R. Frensley and Ted Moise,
Appl. Phys. Lett., Vol. 67, p.2539 (1995).
[9]
"Transmission resonances and zeros in multi-band models",

R. Chris Bowen, William R. Frensley, Gerhard Klimeck, Roger K. Lake,
Phys. Rev. B. , Vol. 52, p.2754 (1995).

Quantum Dots, RTD's and 2DEG's at Purdue

[8]
"Elastic and Inelastic Scattering in Quantum Dots in the Coulomb Blockade Regime",

Gerhard Klimeck, Roger Lake, Supriyo Datta, and Garnett Bryant,
Phys. Rev. B, Vol. 50, 5484 (1994).
[7]
"Resonant Tunneling through Quantum Dot Arrays",

Guanlong Chen, Gerhard Klimeck, Supriyo Datta, G. H. Chen and W. A. Goddard III,
Phys. Rev. B, Vol. 50, p.8035 (1994).
[6]
"Conductance Spectroscopy in Coupled Quantum Dots",

Gerhard Klimeck, Guanlong L. Chen and Supriyo Datta,
Phys. Rev. B, Vol. 50, p.2316 (1994).
[5]
"Rate Equations for the Phonon Peak in Resonant Tunneling Structures",

Roger Lake, Gerhard Klimeck, M. P. Anantram, and Supriyo Datta,
Phys. Rev. B., Vol. 48, p.15132 (1993).
[4]
"Rate Equations from the Keldysh Formalism Applied to the Phonon Peak in Resonant-Tunneling Diodes",

Roger Lake, Gerhard Klimeck, and Supriyo Datta,
Phys. Rev. B, Vol. 47, p.6427 (1993).
[3]
"Quantum Kinetic Analysis of Mesoscopic Systems: Linear Response",

Yong Lee, Michael J. McLennan, Gerhard Klimeck, Roger Lake and Supriyo Datta,
Superlattices and Microstructures, Vol. 11, p.137 (1992).

Non-linear Optics at Purdue

[2]
"Laser-Bandwidth-Induced Fluctuations in the Intensity Transmitted by a Fabry-Perot Interferometer",

Gerhard Klimeck, D. S. Elliott and M. W. Hamilton,
Phys. Rev. A, Vol. 44, p.3222 (1991).
[1]
"Generation and Intensity Correlation Measurements of the Real Gaussian Field",

Cheng Xie, Gerhard Klimeck and D. S. Elliott,
Phys. Rev. A Vol. 41, p.6376 (1990).

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