IWCE8 - Preliminary Program (updated Oct. 11, 2001)

(All talks will take place in the Auditorium of the Beckman Institute)

Sunday Evening, October 14, 2001

6:00 - 9:00pm Registration and Reception (Atrium, Beckman Institute)

Monday Morning, October 15, 2001

8:30amOpening Remarks

Session: Quantum Transport I

Chair: C. Hamaguchi

8:45am(Invited) A. Svizhenko, M. P. Anantram and T. R. Govindan, "Quantum Mechanical Simulation of MOSFETs in the Ballistic Limit"

9:15am(Invited) R. Akis, J. P. Bird and D. K. Ferry, "Eigenstate Selection in Open Quantum Dot Systems: On the True Nature of Level Broadening"

9:45amJ. R. Barker, "On the Completeness of Quantum Hydrodynamics: Vortex Formation and the Need for Both Vector and Scalar Quantum Potentials in Device Simulation"

10:05amS. E. Laux, A. Kumar and M. V. Fischetti, "Using the ‘Quantum Transmitting Boundary Method’ to Derive the Density-of-States for Self-Consistent Poisson-Schrödinger Ballistic Device Simulation"

10:20amCoffee Break (Room 1005)

**Chair: D. Jovanovic**

10:50amJ. Timler and C. S. Lent, "Models of Energy Flow in QCA: Power Dissipation and Power Gain"

11:05amM. Nedjalkov, H. Kosina, R. Kosik, and S. Selberherr, "A Space Dependent Wigner Equation Including Phonon Interaction"

11:20amH. L. Grubin and R. C. Buggeln, "RTD Relaxation Oscillations, the Time Dependent Wigner Equation and Phase Noise"

11:35amG. Fiori, G. Iannaccone and M. Macucci, "Modeling of Shallow Quantum Point Contacts Defined on AlGaAs/GaAs Heterostructures: The Effect of Surface States"

11:50amX. Oriols, F. Martín and J. Suñé, "Study of Noise Properties in Nanoscale Electronic Devices Using Quantum Trajectories"

12:05pmLunch (Atrium, Beckman Institute)

Monday Afternoon, October 15, 2001

**Session: Optoelectronics
**

**Chair: **

2:00pm(Invited) M. S. Hybertsen, B. Witzigman, M. A. Alam, and R. K. Smith, "Microscopic Simulation of Multi-Quantum Well Semiconductor Diode Lasers"

2:30pmJ. Li, S. Cheung and C. Z. Ning, "Moment Equations and Lateral Diffusion Effects in Semiconductor Lasers"

2:45pmY. Liu, F. Oyafuso, W.-C. Ng, and K. Hess, "Numerical Study of Minority Carrier Induced Diffusive Capacitance in VCSELs Using Minilase"

3:00pmX. Zeng, W. Chen, M. Stroscio, and L. F. Register, "Quantum Transport Simulation of Carrier Transport and Energy Relaxation within Tunnel Injection Lasers"

3:15pmV. Ryzhii and V. Mitin, "Quantum Dot Infrared Photodetectors: Physical Model and Problems of Computer Simulation"

3:30pmBreak (Room 1005 Beckman Institute)

4:00pm – 6:00pm Poster Session I( with Refreshments - Room 1005, Beckman Institute)

7:00pmProgram and Advisory Committees meeting (Room 5269, Beckman Institute)

Tuesday Morning, October 16, 2001

Chair: L. Cooper

9:00am(Invited) N. D. Lang, "Electrical Conductance of Atomic Wires and Small Molecules"

** Session: Spin Effects
**

9:30amP. Matagne, T. Wilkens, J. P. Leburton, and R. Martin, "Hybrid LSDA/Diffusion Quantum Monte-Carlo Method for Spin Sequences in Vertical Quantum Dots"

9:50amX. Cartoixa, D. Z.-Y. Ting and T. C. McGill, "Investigation of Spin Splittings and Rashba Coefficients in Asymmetric AlSb/InAs/GaSb/AlSb Heterostructures"

10:05amD. Z.-Y. Ting, X. Cortoixa-Soler, T. C. McGill, D. L. Smith, and J. N. Schulman, "Modeling Spin-Dependent Transport in InAs/GaSb/AlSb Resonant Tunneling Structures"

10:20amCoffee Break (Room 1005, Beckman Institute)

Session: Biological Ion Channels

Chair: N. Aluru

10:45amR. Eisenberg, "Ion Channels as Natural Nanodevices"

11:00amC. L. Gardner, J. W. Jerome and R. Eisenberg, "Electrodiffusion Model of Cell Membrane Ionic Channels"

11:15amC. Millar, A. Asenov, S. Roy, and J. M. Cooper, "Generic Particle-Mesh Framework for the Simulation of Ionic Channels"

11:30amT. A. van der Straaten, J. Tang, R. S. Eisenberg, U. Ravaioli, and N. Aluru, "Three-Dimensional Continuum Simulations of Ion Transport through Biological Ion Channels: Effect of Charge Distribution in the Constriction Region of Porin"

11:45amU. Hollerbach, "Spectral-Element PNP Simulations of Current Flow Through Gramicidin A: Application to Semiconductor Device Simulation"

12:00pmD. Boda, Y. Yang, D. Henderson, D.D. Busath, "Computer Simulation Studies of the Selectivity and Conductance of a Model Calcium Channel"

12:15pmBox Lunch (Atrium, Beckman Institute)

Tuesday Afternoon, October 16, 2001

Session: Quantum Transport II

Chair: J.R. Barker

1:30pm(Invited) D. K. Ferry, R. Akis, L. Shifren, and S. Ramey, "The Effective Potential in Device Modeling: The Good, the Bad and the Ugly"

2:00pm(Invited) P. Bordone and C. Jacoboni, "Wigner Paths for Quantum Transport"

2:30pmG. Klimeck, "Full Brillouin-Zone, Charge Self-Consistent Quantum Transport Simulations Enabled by Parallelization of the Nanoelectronic Modeling tool (NEMO 1-D) on a Beowulf Cluster"

2:50pmS. Hackenbuchner, M. Sabathil, G. Zandler, J. A. Majewski, and P. Vogl, "Towards Fully Quantum Mechanical 3D Device Simulations"

3:05pmCoffee Break (Room 1005, Beckman Institute)

**Chair: M. Stroscio**

3:30pmG. Csaba and W. Porod, "Simulation of Field-Coupled Computing Architectures Based on by Magnetic Dot Arrays"

3:45pmX. Wang and T.-W. Tang, "Comparison of Three Quantum Correction Models for the Charge Density in MOS Inversion Layers"

4:00pmM. Macucci, G. Iannaccone and B. Pellegrini, "Numerical Investigation of Shot Noise Between the Ballistic and the Diffusive Regimes"

4:15pmM. G. Ancona, Z. Yu, D. Yergeau, and B. A. Biegel, "On Ohmic Boundary Conditions for Density-Gradient Theory"

4:30pmM. Gheorghe, A. di Carlo, P. Lugli, M. Sternberg, G. Seifert, and T. Frauenheim, "Theoretical Tools for Transport in Molecular Nanostructures"

5:00 - 7:00pmPoster Session II(Room 1005, Beckman Institute)

7:00pm Workshop Banquet(Atrium, Beckman Institute)

Wednesday Morning, October 17, 2001

Session: Simulation of Advanced Silicon Technology

Chair: L. F. Register

8:30am(Invited) M. Städele, B. Tuttle, B. Fischer, and K. Hess, "Tunneling Through Ultrathin SiO2 Layers"

9:00am(Invited) A. A. Demkov and X. Zhang, "Theoretical Investigation of the Tunneling Through a 1 nm MOS and a Double Barrier SiO_{2}-Si-SiO_{2}Structures"

9:30amF. O. Heinz, A. Schenk, A. Scholze, and W. Fichtner, "Full Quantum Simulation of Silicon-on-Insulator Single-Electron Devices"

9:50amA. R. Brown, J. R. Watling and A. Asenov, "A 3-D Atomistic Study of Archetypal Double Gate MOSFET Structures"

10:05amCoffee Break (Room 1005, Beckman Institute)

**Chair: A. Asenov**

10:30amA. Kepkep and U. Ravaioli, "3-D Parallel Monte Carlo Simulation of sub-0.1 Micron MOSFETs on a Cluster Based Supercomputer"

10:45amF. M. Bufler and W. Fichtner, "Hole Transport in Orthorhombically Strained Silicon"

11:00amS. Gonzalez, D. Vasileska and A. A. Demkov, "Empirical Pseudopotential Method for the Band Structure Calculation of Strained Si_{1-x}Ge_{x}Materials"

11:20amJ. Guo, Z. Ren and M. Lundstrom, "A Computational Exploration of Lateral Channel Engineering to Enhance MOSFET Performance"

11:35amZ. Ikonic, P. Harrison and R. W. Kelsall, "Monte Carlo Simulations of Hole Dynamics in Si/SiGe Quantum Cascade Structures"

11:50amA. Sakai, A. Ishida, S. Uno, Y. Kamakura, M. Morifuji, and K. Taniguchi, "Calculation of Direct Tunneling Current Through Ultra-Thin Gate Oxides Using Complex Band Models for SiO_{2}"

12:05pmBox Lunch

Wednesday Afternoon, October 17, 2001

Chair: S. Goodnick

1:30pm(Invited) B. Winstead, H. Tsuchiya and U. Ravaioli, "Quantum Corrections for Monte Carlo Simulation"

** Session: Monte Carlo**

2:00pmT.-H. Yu and K. F. Brennan, "Monte Carlo Based Calculation of the Electron Dynamics in a Two-Dimensional GaN/AlGaN Heterostructure in the Presence of Strain Polarization Fields"

2:15pmH. Takeda, N. Mori and C. Hamaguchi, "Full-Band Monte Carlo Simulation of Two-Dimensional Electron Gas in SOI MOSFETs"

2:30pmM. Saraniti, J. Tang, S. Goodnick, and S. Wigger, "Parallel Approaches for Particle-Based Simulation of Charge Transport in Semiconductors"

2:45pmD. Li, G. Wang, Y. Chen, G. Shrivastav, S. Oak, A. Tasch, and S. Banerjee, "A Computationally Efficient Model for Three-Dimensional Monte Carlo Simulation of Ion Implantation into Complex Structures"

3:00pmE. C. Kan, V. Narayanan and G. Pei, "Band-to-Band Tunneling by Monte Carlo Simulation for Prediction of MOSFET Drain Leakage Current"

3:15pmCoffee Break

**Chair: G. Klimeck**

3:40pm(Invited) F. Bernardini, V. Fiorentini and O. Ambacher, "Macroscopic Polarization in III-V Nitrides Alloys: Theoretical Predictions and Experimental Evidence"

Session: Atomistic Simulations

4:10pmM. Dequesnes, S. V. Rotkin and N. R. Aluru, "Pull-In Voltage of Carbon Nanotube Based Nanoelectromechanical Devices"

4:30pmF. Oyafuso, G. Klimeck, R. C. Bowen, and T. B. Boykin, "Electronic Structure Calculations of Quantum Dots Consisting of Tens of Millions of Atoms on High Performance Beowulf Clusters"

4:45pmS. V. Rotkin and K. Hess, "On Computation of Many-Body Correction to van der Walls Interaction for Nanotubes"

5:00pmM. Stroscio, M. Dutta, D. Kahn, K. W. Kim, and S. Komirenko, "Phonons in Quantum Confined Geometries"

5:15pmWorkshop ends

POSTER SESSION I – MONDAY, OCTOBER 15, 4:00 – 6:00 P.M. (Room 1005, Beckman Institute)

E. Alonso, D. C. Mueller, A. M. C. Perez-Martin, J. Dominguez-Vazquez, J. J. Jimenez-Rodriguez, M. J. Caturla, and W. Fichtner, "Low Energy Boron Implants: A Molecular Dynamics Kinetic Monte Carlo Approach"

J. R. Barker, "On the Current and Density Representation of Many-body Quantum Transport Theory"

L. Tirino, M. Weber, K. F. Brennan, E. Bellotti, M. Goano, and P. P. Ruden, "Fully Numerical Monte Carlo Simulator for Wide Band Gap Semiconductors"

M. Weber, L. Tirino, K. F. Brennan, and M. Farahmand, "Monte Carlo analysis of RF Breakdown in GaN Wurtzite and Zicblende Phase MESFETs"

Y. Chen, G. Wang, D. Li, S. Oak, L. Lin, G. Shrivastav, A. F. Tasch, and S. K. Banerjee, "Computation of Electronic Stopping Power for Ion Implantation into Silicon Nitride and Titanium Silicide"

G. F. Formicone, M. Saraniti and D. K. Ferry, "On the Electron Transient Response in a 50 nm n-MOSFET by Ensemble Monte Carlo Simulation in Presence of an Effective Potential Algorithm"

G. Iannaccone, "Simulation of Transport and Noise Properties of SILCs through Thin-Oxide MOS Structures"

K. Kalna and A. Asenov, "Quantum Corrections in the Monte Carlo Simulations of Scaled PHEMTs with Multiple Delta Doping"

S. Kaya, A. Asenov and S. Roy, "Breakdown of Universal Mobility Curves in sub-100nm MOSFETs"

A. Pecchia, R. W. Kelsall, B. Movaghar, A. Bourlange, S. D. Evans, B. J. Hickey, and N. Boden, "Electronic Bandstructure and Transport Properties of Self-Organised Organic-Inorganic Heterostructures"

H. Kosina, M. Gritsch, T. Grasser, T. Linton, S. Yu, M. D. Giles, and S. Selberherr, "An Improved Energy Transport Model Suitable for Simulation of Partially Depleted SOI MOSFETs

C. J. Russo and C. S. Lent, "Properties of QCA Molecules Calculated Using Local Density Techniques"

Y. Li, O. Voskoboynikov, C. P. Lee, and S. M. Sze, "A Computational Technique for Electron Energy States Calculation in Nano-Scopic Three-Dimensional InAs/GaAs Semiconductor Quantum Rings Simulation"

L. Bonci, G. Iannaccone and M. Macucci, "Comparison between the Time Dependent Behavior of Clocked and Unclocked QCA Circuits"

K. Matsuda, "Phonon Scattering Effects on Temperature Dependence of Conductivity in Strained Silicon"

W. McMahon and K. Hess, "A Multi-Carrier Model for Interface Trap Generation in Sub-Micron NMOSFETs"

C. Millar, A. Asenov and J. F. Watling, "Excessive Over-Relaxation Method for Multigrid Poisson Solvers"

S. Oak, B. Obradovic, G. Wang, Y. Chen, D. Li, G. Shrivastav, S. Banerjee, and A. F. Tasch, "A Computationally Efficient Model for 2-D Monte Carlo Simulation of Ion Implantation"

**
POSTER SESSION II – TUESDAY, OCTOBER 16, 5:05 –
7:00 P.M. (Room 1005, Beckman Institute)**

S. Picozzi, R. Asahi and A. J. Freeman, "An AB-Initio Approach to Impact Ionization and Auger Recombination in Semiconductors"

N. J. Pilgrim, W. Batty and R. W. Kelsall, "Thermally Self-Consistent Monte Carlo Device Simulations"

K. Rajendran and W. Schoenmaker, "Inter-Diffusion of Ge
in Strained Si_{1-x}Ge_{x }Epitaxial Layers"

S. M. Ramey and D. K. Ferry, "3D Monte Carlo Modeling of Thin SOI MOSFETs Including the Effective Potential and Random Dopant Distribution"

J.-H. Rhew, Z. Ren and M. Lundstrom, "A Benchmarking Study of Macroscopic Transport Models for a Nanoscale MOSFET"

L. Shifren and D. K. Ferry, "A Wigner Function Based Ensemble Monte Carlo Approach for Accurate Incorporation of Quantum Effects in Device Simulation"

G. Shrivastav, Y. Chen, G. Wang, D. Li, S. Oak, L. Lee, A. F. Tasch, and S. K. Banerjee, "A Universal Analytical 1-D Model for Ion Implantation into Single-Crystal Silicon Based on Legendre Polynomials"

J. A. Carrillo, I. Gamba, A. Majorana, and C.-W. Shu, "A WENO-Solver for the 1D Non-Stationary Boltzmann-Poisson System for Semiconductor Devices"

G. Speyer and D. Vasileska, "Multi-Grid and Bi-CGSTAB Solvers for Large 3D Systems"

T.-W. Tang, X. Wang and Y.Li, "Discretization Scheme for the Density-Gradient Equations and Effect of Boundary Conditions"

D. Z.-Y. Ting, M. Gu, J. Cao, and X. Chi, "Numerical Acceleration of Three-Dimensional Quantum Transport Method Using a Seven-Diagonal Preconditioner"

M. Gu, J. Xia and D. Z.-Y. Ting, "Low-Rank Update Eigensolver for Supercell Band Structure Calculations"

D. Vasileska, X. He, I. Knezevic, and D. K. Schroder, "The Role of Quantum Confinement on the Operation of FIBMOS Device"

J. R. Watling, J. R. Barker, A. Asenov, and S. Roy, "Quantum Potential Corrections for Spatially Dependent Effective Masses with Application to Charge Confinement at Heterostructure Interfaces"

J. R. Watling, A. R. Brown and A. Asenov, "Calibration of the Density Gradient Approach in Respect of Source-Drain Tunnelling in Decanano MOSFETs"

S. Wigger, K. Aboud, S. Goodnick, and M. Saraniti, "Analysis of Carrier Tunneling through Ultra-Thin Oxides in Semiconductor Devices"

A. Reale and P. Lugli, "Modeling of Semiconductor Optical Amplifiers"

G. Baozeng and U. Ravaioli, "Full Band Monte Carlo Simulation of Wurtzite AlGaN/GaN MODFETs"

H. Tsuchiya and U. Ravaioli, "A Particle Description Model for Quantum Tunneling Effects"

D. Gillespie, W. Nonner and R.S. Eisenberg, "Selectivity and Flux in Biological Ion Cgannels: A Density Functional Approach"