Nanotechnology Modeling Laboratory UW EE 




Papers and PublicationsRecent publications and additional full text links available at ResearchGate "Insights into scanning probe highfield chemistry of diphenylgermane," Stephanie E. Vasko, Wenjun Jiang, Renyu Chen, Robert Hanlen, Jessica D. Torrey, Scott T. Dunham and Marco Rolandi, Phys. Chem. Chem. Phys. 13, 2011, Advance Article DOI: 10.1039/C0CP02150D. [PDF] "A universal scaling of planar fault energy barriers in facecentered cubic metals Z.H. Jin, S.T. Dunham, H. Gleiter, H. Hahn, and P. Gumbsch, Scripta Materialia, v 64, n 7, p 605608, April 2011. [PDF]  “Simulation of grain boundary effects on electronic transport in metals and detailed causes of scattering,” Baruch Feldman, Seongjun Park, Michael Haverty, Sadasivan Shankar, and Scott T. Dunham, Physica Status Solidi (B) 247, (2010). [PDF]  “Kinetic lattice Monte Carlo simulations of interdiffusion in strained silicon germanium alloys,” R. Chen and S.T. Dunham, J. Vac. Sci. Technol. B 28, C1G18 (2010). [PDF]  “Calculation of Cu/Ta interface electron transmission and effect on conductivity in nanoscale interconnect technology,” B. Feldman and S.T. Dunham, Applied Physics Letters 95, 222101 (2009). [PDF]  “Stress effects on impurity solubility in crystalline materials: a general model and densityfunctional calculations for dopants in silicon,” C. Ahn, N. Bennett, S.T. Dunham, and N.E.B. Cowern, Physical Review B 79, 073201 (2009). [PDF]  “A comparison of optical modulator structures using a matrix simulation approach,” K. Kleven, S.T. Dunham, Optical and Quantum Electronics 40, 431 (2008). [PDF]  "Calculation of dopant segregation ratios at semiconductor interfaces," Chihak Ahn; Dunham, S.T., Physical Review B 78, n 19, p 195303 (5 pp.), 15 Nov. 2008 [PDF]  "Charge carrier induced lattice strain and stress effects on As activation in Si," Ahn, C.; Dunham, S.T., Applied Physics Letters 93, n 2, p 02211213, 14 July 2008 [PDF]  "Dependence of resistivity on surface profile in nanoscale metal films and wires," Feldman, B.; Deng, R.; Dunham, S.T., Journal of Applied Physics 103, n 11, p 11371514, 1 June 2008 [PDF]  "Calculations of codoping effects between combinations of donors (P/As/Sb) and acceptors (B/Ga/In) in Si" Chihak Ahn; Dunham, S.T., Journal of Applied Physics 102, n 12, p 12370915, 15 Dec. 2007 [PDF]  "A compact hybrid silicon/electrooptic polymer resonant cavity modulator design," McLauchlan, K.K.; Dunham, S.T.; Proceedings of the SPIE  The International Society for Optical Engineering 6322, p 63220319, 31 Aug. 2006 [PDF]  "Analysis of a compact modulator incorporating a hybrid silicon/electrooptic polymer waveguide," K.K. McLauchlan, S. T. Dunham, IEEE Journal of Selected Topics in Quantum Electronics 12, n 6, pt.2, Nov.Dec. 2006, p 145560 [PDF]  "Accurate modeling of copper precipitation kinetics including Fermi level dependence," HsiuWu Guo, S. T. Dunham, Applied Physics Letters 89, n 18, 30 Oct. 2006, p 18210613.[PDF]  "First principles calculations of dopant solubility based on strain compensation and direct binding between dopants and group IV impurities," C. Ahn, M. Diebel, S. T. Dunham, Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures 24, n 2, March/April, 2006, p 700704 [PDF]  "Diebel and Dunham reply," M. Diebel, S.T. Dunham, Physical Review Letters 96, n 3, 27 Jan. 2006, p 039602/1 [PDF]  ``Calculations of effect of anisotropic stress/strain on dopant diffusion in silicon under equilibrium and nonequilibrium conditions," Scott T. Dunham, Milan Diebel, Chihak Ahn, and Chen Luen Shih, J. Vac. Sci. Technol. B 24, 456 (2006). [PDF]  ``Interactions of B dopant atoms and Si interstitials with SiO2 films during annealing for ultrashallow junction formation,'' P. Kohli, A. Jain, S. Chakravarthi, H. Bu, S. T. Dunham, and S. K. Banerjee, Journal of Applied Physics 97, 73520 (2005). [PDF]  ``Ab initio calculations to model anomalous fluorine behavior,'' M. Diebel and S. T. Dunham, Physical Review Letters 93, 245901 (2004). [PDF]  ``Fundamental characterization of the effect of nitride sidewall spacer process on boron dose loss in ultrashallow junction formation,'' P. Kohli, S. Chakravarthi, A. Jain, H. Bu, M. Mehrotra, S. T. Dunham, and S. K. Banerjee, Materials Science & Engineering B 114, 390 (2004). [PDF]  ``Molecular dynamics (MD) modeling for lowenergy ion implantation process,'' Ohseob Kwon, Kidong Kim, Jihyun Seo, Taeyoung Won, and S. T. Dunham, Journal of the Korean Physical Society 45, 132731 (2004).  ``Effect of nitride sidewall spacer process on boron dose loss in ultrashallow junction formation,'' P. Kohli, A. Jain, H. Bu, S. Chakravarthi, C. Machala, S. T. Dunham, and S. K. Banerjee, Journal of Vacuum Science & Technology B 22, 471 (2004). [PDF]  ``Atomistic simulations of the effect of Coulombic interactions on carrier fluctuations in doped silicon,'' Z. Qin and S. T. Dunham, Physical Review B 68, 245201 (2003). [PDF]  ``The process modeling hierarchy: connecting atomistic calculations to nanoscale behavior,'' S. T. Dunham, P. Fastenko, Z. Qin, and M. Diebel, IEICE Transactions on Electronics E86C, 276 (2003). [PDF]  ``Theoretical studies of selfdiffusion and dopant clustering in semiconductors,'' B. P. Uberuaga, G. Henkelman, H. Jonsson, S. T. Dunham, W. Windl, and R. Stumpf, Phys. Stat. Solidi B 233, 24 (2002). [PDF]  ``A combined model for {311} defect and dislocation loop evolution: analytic formulation of kinetic precipitation model,'' A. H. Gencer and S. T. Dunham, J. Appl. Phys. 91, 2883 (2002). [PDF]  ``A simple continuum model for boron clustering based on atomistic calculations,'' S. Chakravarthi and S. T. Dunham, J. Appl. Phys. 89, 3650 (2001). [PDF]  ``Modeling Of Vacancy Cluster Formation In Ion Implanted Silicon,'' S. Chakravarthi and S. T. Dunham, J. Appl. Phys. 89, 4758 (2001). [Postscript, PDF]  ``Monte Carlo study of vacancymediated diffusion in silicon,'' M. M. Bunea and S. T. Dunham, Phys. Rev. B 61 (2000).  ``Transition metal defect behavior and Si density of states in the processing temperature regime,''A.L. Smith, S.T. Dunham, L.C. Kimerling, Physica B 273274, 358 (1999). [Paper (pdf)] [Figure captions (pdf)] [Figures (pdf)]  ``FirstPrinciples Study of Boron Diffusion through Silicon,'' W. Windl, M.M. Bunea, R. Stumpf, S.T. Dunham, and M.P. Masquelier, Phys. Rev. Lett. 83, (1999). [Postscript, PDF]  ``Modeling of Dopant Diffusion in Silicon,'' Scott T. Dunham, Alp H. Gencer and Srinivasan Chakravarthi, IEICE Trans. Electron. E82C, 800 (1999). [invited] [ PDF ]  ``Modeling of a GaN Based Static Induction Transistor,'' Gabriela E. Bunea, Scott T. Dunham and Theodore M. Moustakas, MRS Internet Journal of Nitride Semiconductor Research 4S1, G6.41 (1999).  "Challenges in Predictive Process Simulation," J. Dabrowski, H.J. Mussig, M. Duane, S. T. Dunham, R. Goossens, and H.H. Vuong, Festk\"orp./Adv. in Sol. State Phys. 38, 565 (1999).  ``Lattice Monte Carlo Simulations as Link Between AbInitio Calculations and Macroscopic Behavior of Dopants and Defects in Silicon,'' Marius Bunea and Scott T. Dunham, Journal of ComputerAided Materials Design 5, 81 (1998). [invited]  ``Effect of Film Density on Boron Diffusion in SiO$_2$,'' Mitra Navi and Scott T. Dunham, J. Appl. Phys. 72, 2111 (1998).  ``Investigation of Boron Penetration through Thin Gate Dielectrics including Role of Nitrogen and Fluorine,'' Mitra Navi and Scott T. Dunham, J. Electrochem. Soc. 145, 2545 (1998).  "Accurate and Efficient Modeling of Nucleation and Growth Processes," Scott T. Dunham, Iuval Clejan, and Alp H. Gencer, Mat. Sci. Eng. A 238, 152 (1997).  "A Predictive Model for Transient Enhanced Diffusion Based on Evolution of {311} Defects," Alp H. Gencer and S.T. Dunham, J. Appl. Phys. 238, 152 (1997).  "A Viscous Compressible Model for Stress Generation/Relaxation in SiO2," Mitra Navi and S. T. Dunham, J. Electrochem. Soc. 144, 367 (1997).  "Oxidation of Silicon in TCA/O2 Ambients," Mitra Navi and S. T. Dunham, unpublished  "Moment Expansion Approach to Calculate Impact Ionization Rate in Submicron Silicon Devices,"K. Sonoda, M. Yamaji, K. Taniguchi, and C. Hamaguchi, S. T. Dunham, J. Appl. Phys. 80, 5444 (1996).  "Reply to ``A Comment on `Atomistic Models of VacancyMediated Diffusion in Silicon,'''" S.T. Dunham, J. Appl. Phys. 79(9), 7409 (1996).  "Impact ionization model using average energy and average square energy of distribution function," K. Sonoda, S. T. Dunham, M. Yamaji, K. Taniguchi, and C. Hamaguchi, Jap. J. Appl. Phys. 1 35, 818 (1996).  "A Reduced MomentBased Model for Precipitant Kinetics and Application to Dopant Activation in Silicon," I. Clejan and S.T. Dunham, J. Appl. Phys. 78, 7327 (1995).  "Consistent Quantitative Model for the Spatial Extent of Point Defect Interactions in Silicon," A.M. Agarwal and S.T. Dunham, J. Appl. Phys. 78, 5313 (1995).  "Atomistic Models of VacancyMediated Dopant Diffusion in Silicon," S.T. Dunham and C.D. Wu., J. Appl. Phys. 78, 2362 (1995).  "Modeling of the Kinetics of Dopant Precipitation in Silicon," S.T. Dunham, J. Electrochem. Soc. 142, 2823 (1995).  "Diffusion of Phosphorus in Arsenic and Boron Doped Silicon," F. Wittel and S.T. Dunham, Appl. Phys. Lett. 66, 1415 (1995).  "Improved Analysis of Spreading Resistance Measurements," S.T. Dunham, N. Collins and N. Jeng, J. Vac. Soc. Tech. B 12, 283 (1994).  "Damage to Dose Ratio After Low Energy Silicon Ion Implantation into Crystalline Silicon," Y. Levin, N Herbots and S.T. Dunham, J. Mat. Res. 8, 2305 (1993).  "Determination of Silicon Point Defect Properties from Oxidation Enhanced Diffusion of Buried Layers," A.M. Agarwal and S.T. Dunham, Appl. Phys. Lett. 63, 800 (1993).  "Growth Kinetics of DiscShaped Extended Defects with Constant Thickness," S.T. Dunham, Appl. Phys. Lett. 63, 464 (1993).  "Defect Formation during Anealing of Thin Silicon Oxide Films in Argon," A. Agarwal and S.T. Dunham, J. Electrochem. Soc. 140, 222 (1993).  "A Quantitative Model for the Coupled Diffusion of Phosphorus and Point Defects in Silicon," S.T. Dunham, J. Electrochem. Soc. 139, 2628 (1992).  "Interstitial Supersaturation during Oxidation of Silicon in Steam Ambients," N. Jeng and S.T. Dunham, J. Appl. Phys. 72, 2049 (1992).  "Interactions of Silicon Point Defects with Silicon Oxide Films," S.T. Dunham, J. Appl. Phys. 71, 685 (1992).  "Dopant Diffusion during HighTemperature Oxidation of Silicon," S.T. Dunham and N. Jeng, Appl. Phys. Lett. 59, 2016 (1991).  "Interstitial Kinetics near Oxidizing Silicon Interfaces," S.T. Dunham, J. Electrochem. Soc.136, 250 (1989).  "Analysis of the Effect of Thermal Nitridation of Silicon on Silicon Interstitial Concentration," S.T. Dunham and J.D. Plummer, J. Appl. Phys. 62, 1195 (1987).  "Point Defect Generation during the Oxidation of Silicon in Dry Oxygen. I Theory," S.T. Dunham and J.D. Plummer, J. Appl. Phys. 57, 2541 (1986).  "Point Defect Generation during the Oxidation of Silicon in Dry Oxygen. II. Comparison to Experiment," S.T. Dunham and J.D. Plummer, J. Appl. Phys. 57, 2551 (1986).  "Loss Analysis and Improvement of Industrially Fabricated CzSi Solar Cells by Means of Process and Device Simulations," S. Steingrube, H. Hannebauer, R. Chen, Y. Yang, T. Dullweber, S. T. Dunham, P. P. Altermatt, and R. Brendel, Silicon PV: 1st International Conference on Silicon Photovoltaics, Freiburg, April 2011. [PDF]  "Emitter Design with CostEffective Implantation," P. P. Altermatt, S. Steingrube, R. Chen, Y. Yang, C. Zechner, G. Letay, J. W. Graff, and S. T. Dunham, Silicon PV: 1st International Conference on Silicon Photovoltaics, Freiburg, April 2011. [PDF]  “2D Modeling of Silicon Solar Cell Fabrication and Operation," S.T. Dunham, A. Yazdani, R. Chen, and B.C. Trzynadlowski Cells,” 20th Workshop on Crystalline Silicon Solar Cells and Modules: Materials and Processes, August 2010.  "Multiscale modeling of nanoscale device fabrication," S.T. Dunham, Proceedings 2010 10th IEEE International Conference on Nanotechnology and Joint Symposium with Nano Korea 2010 KINTEX (IEEENANO 2010), p 859, 2010. [invited] [PDF]  “Stress effects on point defect supersaturation and defect evolution,” Chihak Ahn, Joochul Yoon, Nick Bennett, Silke Hamm, PierFrancesco Fazzini, Scott T. Dunham, and Nick E. B. Cowern, International Conference on Ion Implantation Technology (IIT 2010), June 2010. [PDF]  “Molecular Dynamics Modeling of Stress and Orientation Dependence of Solid Phase Epitaxial Regrowth,” Haoyu Lai, Stephen M. Cea, Harold Kennel, and Scott T. Dunham, in Amorphous and Polycrystalline ThinFilm Silicon Science and Technology (MRS Proceedings Volume 1245), eds. Q. Wang, B. Yan, S. Higashi, C.C. Tsai, and A. Flewitt, April 2010.  “Ab initio Calculations of Crystalline and Amorphous In2Se3 Compounds for Chalcogenide Phase Change Memory,” Renyu Chen and Scott T. Dunham, in PhaseChange Materials for Memory and Reconfigurable Electronics Applications (MRS Proceedings Volume 1251E), April 2010.  “Optical and Electronic Modeling of Polymer Thinfilm Photovoltaics.,” Wenjun Jiang and Scott T. Dunham, in Nanoscale Charge Transport in Excitonic Solar Cells (MRS Proceedings Volume 1270), eds. V.R. Bommisetty, N.S. Sariciftci, K. Narayan, G. Rumbles, P. Peumans, J. van de Lagemaat, G. Dennler, and S.E. Shaheen, April 2010.  “Understanding AFM nanoscale CVD,” S. Vasko, J. Torrey, R. Hanlen, R. Chen, W. Jiang, S.T. Dunham, and M. Rolandi, Lawrence Symposium on Epitaxy, February 2010.  “Understanding limits to conductivity of metal nanowire,” S.T Dunham and B. Feldman, 2009 International Semiconductor Device Research Symposium (ISDRS 2009), December 2009 [invited].  “Tracking Extended Defects with a StressDependent Reduced Kinetic Precipitation Model,” B.C. Trzynadlowski, S.T. Dunham, and H.W. Guo, Frontier of Energy Flow Dynamics in Atomistic and Electronic Scales (FEFDAESII), December 2009 [invited].  “Technology Computer Aided Design for Silicon Photovoltaics,” Scott Dunham, Wenjun Jiang, and HsiuWu Guo, 19th Workshop on Crystalline Silicon Solar Cells and Modules: Materials and Processes, August 2009.  “Understanding and Modeling of Metal Gettering in Silicon,” Scott T. Dunham and HsiuWu (Jason) Guo, 19th Workshop on Crystalline Silicon Solar Cells and Modules: Materials and Processes, August 2009.  “Simulation and optimization of transport in a linear Brownian motor,” B.C. Trzynadlowski, S. Volz, S.T. Dunham, E. Altintas, H. Fujita, and K.F. Böhringer, 15th International Conference on SolidState Sensors, Actuators and Microsystems (TRANSDUCERS 2009), p 12851288, June 2009.  “Multiscale Modeling of donor deactivation in highly doped Si,” C. Ahn, N.S. Bennett, J. Yoon, N.E.B. Yoon, and S.T. Dunham, Proc. of International Workshop on INSIGHT in Semiconductor Device Fabrication, Metrology, and Modeling (INSIGHT 2009), April 2009.  “Kinetic lattice Monte Carlo simulations of diffusion in strained silicon germanium alloys,” R. Chen and S.T. Dunham, Proc. of International Workshop on INSIGHT in Semiconductor Device Fabrication, Metrology, and Modeling (INSIGHT 2009), April 2009.  “Atomistic modeling of dopant diffusion and segregation in strained SiGeC,” S.T. Dunham, H.W. Guo, J. Song, C. Ahn, 2008 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD 2008), p 3336, 2008. “Multiscale Materials Modeling of Strained SiGe Alloys,” S.T. Dunham, J. Song, and C. Ahn, Pacific Northwest Microsystems and Nanotechnology Meeting, September 2008.  “Atomistic Simulations of Epitaxial Regrowth of Asdoped Silicon,” Joo Chul Yoon and S. T. Dunham, MRS Proc. 1070, Doping Engineering for FrontEnd Processing, pp. 135139, March 2008.  “Atomistic Modeling of {311} Defects and Dislocation Ribbons,” Bart Trzynadlowski, Chihak Ahn, and S. T. Dunham, MRS Proc. 1070, Doping Engineering for FrontEnd Processing, pp. 255260, March 2008.  "Modeling of effect of stress on C diffusion/clustering in Si," H.W. Guo, C. Ahn and S.T. Dunham, Doping Engineering for FrontEnd Processing (MRS Proc. 1070), p 12934, March 2008.  “A Comparison of Optical Modulator Structures Using a Matrix Simulation Approach,” Kjersti Kleven and Scott T. Dunham, 7th International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD’07), ThPD2, September 2007.  “C diffusion/clustering in Si as function of stress,” HsiuWu (Jason) Guo and S. T. Dunham, TECHCON’07, September 2007.  “Stress effects on dopant (P, Sb, Ga, and In) diffusivity,” Chihak Ahn and S. T. Dunham, Proc. of International Workshop on INSIGHT in Semiconductor Device Fabrication, Metrology, and Modeling (INSIGHT 2007), May 2007.  "Stress effects on as activation in Si," Ahn, C.; Dunham, S.T., Semiconductor Defect Engineering  Materials, Synthetic Structures and Devices II, p 2759, April 2007  "Modeling of Cu surface precipitation and outdiffusion from silicon wafers," HsiuWu Guo; Dunham, S.T., Semiconductor Defect Engineering  Materials, Synthetic Structures and Devices II, p 23944, April 2007  "Modeling of Defect Evolution and TED under Stress based on DFT Calculations,'' HW. Guo, S.T. Dunham, CL. Shih, and C. Ahn, SISPAD 2006, September 2006.  "Predictive Models for Codoping Effects Between Combinations of Donors (P/As/Sb) and Acceptors (B/Ga/In),'' C. Ahn and S.T. Dunham, SISPAD 2006, September 2006.  ``Segregation and Diffusion of B in Strained SiGe: Comparison of Theoretical Calculations to Experimental Results,'' Scott T. Dunham, Chihak Ahn, Jakyoung Song, and Jason Guo, EMRS06, European Materials Research Society Meeting, May 2006.  "A compact hybrid silicon/electrooptic polymer resonant cavity modulator design," K. Kleven McLauchlan, S. T. Dunham, Proceedings of SPIE  The International Society for Optical Engineering, v 6322, Tuning the Optic Response of Photonic Bandgap Structures III, 2006, p 632203. [PDF]  ``Predictive Models for B Diffusion in Strained SiGe based on atomistic calculations,'' Chihak Ahn, Jakyoung Song, Scott T. Dunham, Materials Research Society Symposium Proceedings, vol. 913, Transistor ScalingMethods, Materials and Modeling, p 179183, April 2006.  ``Low temperature polySi sputter deposition through metalinduced crystallization and its application, H.W. Guo, C.L. Shih, J. R. Ketterl, L.V. Saraf, D. E. McCready, M. H. Engelhard, S. T. Dunham, Materials Research Society Meeting, April 2006.  ``Atomistic Modeling of Boron Activation and Diffusion in Strained SiGe,'' Scott T. Dunham, Jakyoung Song, and Chihak Ahn, ENS05 European Nanosystems, December 2005.  "Predictive models for activation and diffusion of B in strained SiGe," J. Song, C. Ahn, and S. T. Dunham, Semiconductor Research Corporation (SRC) TECHCON05, October 2005.  ``Stress Dependence of As Diffusivity, C. Ahn and S. T. Dunham, Semiconductor Research Corporation (SRC) TECHCON05, October 2005.  ``Accurate Modeling of {311} Defect Evolution,'' C.L. Shih, C. Ahn, H.W. Guo and S. T. Dunham, Semiconductor Research Corporation (SRC) TECHCON’05, October 2005.  "Design and simulation of a hybrid silicon/electrooptic polymer modulator," K. Kleven and S. T. Dunham, NUSOD'05  Proceedings of the 5th International Conference on Numerical Simulation of Optoelectronic Devices, p 4950. [PDF]  "Predictive model for B diffusion in strained SiGe based on atomistic calculations," C. Ahn, J. Song, S. T. Dunham, Materials Research Society Symposium Proceedings, v 913, Transistor ScalingMethods, Materials and Modeling, 2006, p 179183.  "Analysis of surface roughness scattering and its contribution to conductivity degradation in nanoscale interconnects," R. Deng and S. Dunham, Proceedings of the IEEE 2005 International Interconnect Technology Conference  IITC'05, p 1479. [PDF]  "Abinitio calculations to predict stress effects on boron solubility in silicon," M. Diebel, S. T. Dunham, Simulation of Semiconductor Processes and Devices  SISPAD 2004, 2004, p 3740. [PDF]  "Accurate modeling of copper precipitation kinetics including fermi level dependence," H.W. Guo, S. T. Dunham, Electrochemical Society Proceedings, v 5, High Purity Silicon VIII  Proceedings of the International Symposium, 2004, p 165175  "Process modeling based on atomistic understanding for state of the art CMOS device design," S. Chakravarthi, M. Diebel, P. R. Chidambaram, S. Ekbote, S. T. Dunham, C. F. Machala, S. Johnson, 2003 Nanotechnology Conference and Trade Show. Nanotech 2003. Nanotech 2003 Joint Meeting. 6th International Conference on Modeling and Simulation of Microsystems, MSM 2003. 3rd International Conference on Computational Nanoscience and Technology, ICCN 2003. 2003 Workshop on Compact Modeling, WCM 2003, 2003, pt. 2, p 1214 vol.2  "Investigation and modeling of fluorine coimplantation effects on dopant redistribution," M. Diebel, S. Chakravarthi, S.T. Dunham, C.F. Machala, S. Ekbote, and A. Jain, CMOS FrontEnd Materials and Process Technology (Mater. Res. Soc. Symposium Proceedings Vol. 765), 2003, p 21116. [PDF]  "Atomistic Simulations of Effect of Coulombic Interactions on Carrier Fluctuations in Doped Silicon," Z. Qin and S. T. Dunham, CMOS FrontEnd Materials and Process Technology (Mater. Res. Soc. Symposium Proceedings Vol. 765), 2003, p 1738. [PDF]  "Abinitio calculations to predict stress effects on defects and diffusion in silicon," M. Diebel and S. T. Dunham, Simulation of Semiconductor Processes and Devices  SISPAD 2003, p 14750. [PDF]  "The process modeling hierarchy: connecting atomistic calculations to nanoscale behavior," S. T. Dunham, Simulation of Semiconductor Processes and Devices  SISPAD 2002, p 21316. [PDF]  "Modeling Fermi Level Effects in Atomistic Simulations," Z. Qin and S. T. Dunham, Silicon FrontEnd Junction Formation Technologies (Mater. Res. Soc. Symposium Proceedings Vol. 717), Editors: Daniel F. Downey, Mark E. Law, Alain Claverie, Michael J. Rendon, 2002, p C3.8.16. [PDF]  " AbInitio Calculations To Model Anomalous Fluorine Behavior," Milan Diebel and S. T. Dunham, Silicon FrontEnd Junction Formation Technologies (Mater. Res. Soc. Symposium Proceedings Vol. 717), Editors: Daniel F. Downey, Mark E. Law, Alain Claverie, Michael J. Rendon, 2002, p C4.5.16. [PDF]  "Modeling of annealing of high concentration arsenic profiles," P. Fastenko, S. T. Dunham, and G. Henkelman Si FrontEnd Processing  Physics and Technology of DopantDefect Interactions III (Mater. Res. Soc. Symposium Proceedings Vol. 669), eds. K. S. Jones, M. D. Giles, P. Stolk, J. Matsuo, E. C. Jones, 2001, p J5.10.16. [PDF]  "Modeling of boron deactivation/activation kinetics during ion implant annealing," S. Chakravarthi and S.T. Dunham, Simulation of Semiconductor Processes and Devices  SISPAD 2000, p 16770. [ PDF ]  "Modeling of initial stages of annealing for amorphizing arsenic implants," P. Fastenko, B. Murphy and S.T. Dunham, Simulation of Semiconductor Processes and Devices  SISPAD 2000, p 1714. [ PDF ]  "Understanding and Modeling Ramp Rate Effects on Shallow Junction Formation", S. Chakravarthi, A.H. Gencer, S.T. Dunham and D.F. Downey, Si FrontEnd Processing Physics and Technology of DopantDefect Interactions II, Mater. Res. Soc. Spring 2000 [ PDF ]  "Modeling Of Vacancy Cluster Formation in Ion Implanted Silicon", S. Chakravarthi and S. T. Dunham, in Fifth Intl. Symp. On Process Phys. and Modeling in Semiconductor Device Manufacturing, Electrochemical Society Meeting, Seattle, May 1999. [PDF]  "Beyond TED: Understanding B Shallow Junction Formation", Scott T. Dunham, Srinivasan Chakravarthi and Alp H. Gencer, ( IEDM Technical Digest 1998). [PDF]  "A Simple Continuum Model for Simulation of Boron Interstitial Clusters based on Atomistic Calculations", Srinivasan Chakravarthi and Scott T. Dunham, SISPAD 1998 Technical Digest. [PDF]  "Modeling Of Implantation Induced Transient Enhanced Diffusion Of Boron", Srinivasan Chakravarthi and Scott T. Dunham, TECHCON '98 (Sept 1998). [PDF]  "Influence Of Extended Defect Models On Prediction Of Boron Transient Enhanced Diffusion", Srinivasan Chakravarthi and Scott T. Dunham, (Mat. Res. Soc., Spring 1998). [PDF]  "Fundamental Modeling of Transient Enhanced Diffusion through Extended Defect Evolution," Alp. H. Gencer, Srinivasan Chakravarthi, Iuval Clejan and Scott T. Dunham, in Defects and Diffusion in Silicon Processing, S. Coffa, T. de la Rubia, C. Rafferty, and P. Stolk, eds. (Mat. Res. Soc. Proc., Pittsburgh, PA, 1997). [Postscript] [PDF]  "Physical Modeling of Transient Enhanced Diffusion and Dopant Deactivation via Extended Defect Evolution", A.H. Gencer, S. Chakravarthi and S.T. Dunham, 1997 International Conference on Simulation of Semiconductor Process and Devices, SISPAD'97 Technical Digest, (IEEE, Piscataway, NJ, 1997). [PDF]  "Interactions of fluorine redistribution and nitrogen incorporation with boron diffusion in silicon dioxide," M. Navi and S. T. Dunham, 1997 International Conference on Simulation of Semiconductor Process and Devices, SISPAD'97 Technical Digest, p. 3358. [PDF]  ``Linking of Atomistic Modeling to Macroscopic Behavior for Front End Processes,'' Scott T. Dunham, in Modeling and Simulation of Microsystems (MSM'99) (Computational Publications, Cambridge, MA, 1999) pp. 355358. [Postscript, PDF]  "Point Defect Properties from Metal Diffusion Experiments  What Does the Data Really Tell Us?," Srinivasan Chakravarthi and Scott T. Dunham, in Defects and Diffusion in Silicon Processing, S. Coffa, T. de la Rubia, C. Rafferty, and P. Stolk, eds. (Mat. Res. Soc. Proc., Pittsburgh, PA, 1997)  "Lattice Monte Carlo Simulations of VacancyMediated Diffusion and Aggregation using AbInitio Parameters," Marius Bunea and Scott T. Dunham, in Defects and Diffusion in Silicon Processing, S. Coffa, T. de la Rubia, C. Rafferty, and P. Stolk, eds. (Mat. Res. Soc. Proc., Pittsburgh, PA, 1997)  "Modeling of Dislocation Loop Growth and Transient Enhanced Diffusion in Silicon for Amorphizing Implants," Alp. H. Gencer and Scott T. Dunham, in Microstructure Evolution During Irradiation, T. de la Rubia, L. Hobbs, I. Robertson, and G. Was, eds. (Mat. Res. Soc. Proc., Pittsburgh, PA, 1997); also in Materials Modification and Synthesis by Ion Beam Processing, D. Alexander, N. Cheung, B. Park and W. Skorupa, eds. (Mat. Res. Soc. Proc., Pittsburgh, PA, 1997)  "Accurate and Efficient Modeling of Nucleation and Growth Processes," Scott T. Dunham, Iuval Clejan, and Alp H. Gencer, in Microstructural Evolution in Bulk Phases, W. Johnson, S. Marsh, J. Sekhar, and H. Wang, eds., Mat. Sci. Eng. A (1997).  "Modeling of Transient Enhanced Diffusion Based on Evolution of {311} Defects," Alp H. Gencer and S.T. Dunham, in Process Physics and Modeling in Semiconductor Technology, G.R. Srinivasan, C.S. Murthy and S.T. Dunham, eds., (Electrochem. Soc. Proc., Pennington, NJ 1996) pp. 155163.  "Modeling of SiO2 Stress Relaxation and Stress Dependent Oxidation," Mitra Navi and S.T. Dunham, in Process Physics and Modeling in Semiconductor Technology, G.R. Srinivasan, C.S. Murthy and S.T. Dunham, eds., (Electrochem. Soc. Proc., Pennington, NJ 1996)pp. 417425.  "Interactions of Point Defects with Boron and Arsenic Precipitates," I. Clejan and S.T. Dunham, in Process Physics and Modeling in Semiconductor Technology, G.R. Srinivasan, C.S. Murthy and S.T. Dunham, eds., (Electrochem. Soc. Proc., Pennington, NJ 1996) pp. 398406.  "Models and Parameters for the Coupled Difusion of Dopants and Point Defects in Silicon," S.T. Dunham and F.P. Wittel, in Process Physics and Modeling in Semiconductor Technology, G.R. Srinivasan, C.S. Murthy and S.T. Dunham, eds., (Electrochem. Soc. Proc., Pennington, NJ 1996) pp. 2736.  "Two Stream Model for Dopant Diffusion in Polysilicon Incorporating Effects of Grain Growth," S. Banerjee and S.T. Dunham, in Process Physics and Modeling in Semiconductor Technology, G.R. Srinivasan, C.S. Murthy and S.T. Dunham, eds., (Electrochem. Soc. Proc., Pennington, NJ 1996) pp. 92100.  "Normal and TransientEnhanced Diffusion of Boron as a Function of Background Doping Level," F.P. Wittel and S.T. Dunham, unpublished.  "Lattice MonteCarlo Simulations of VacancyMediated Diffusion and Implications for Continuum Models of Coupled Diffusion," S.T. Dunham and C.D. Wu, in Simulation of Semiconductor Devices and Processes (SISDEP/SISPAD'95), H. Ryssel, ed.  "Spatial Variations in Point Defect Concentrations and Their Impact on Submicron Device Structures," S.T. Dunham and A.M. Agarwal, in ULSI Science and Technology, E.M. Middlesworth and H.Z. Massoud, eds. (Electrochem. Soc. Proc., Pennington, NJ, 1995).  "Erbium in Silicon: a Defect System for Optoelectronic Integrated Circuits," J. Michel, J. Palm, F. Gan, F.Y.G. Ren, B. Zheng, S.T. Dunham, and L.C. Kimerling, in Proceedings of 18th International Conference on Defects in Semiconductors (ICDS18), Mater. Sci. Forum Vol. 196201, pt.2, pp. 58590 (1995).  "Computationally Efficient Model for Dopant Precipitation Kinetics," I. Clejan and S.T. Dunham, in ULSI Science and Technology, E.M. Middlesworth and H.Z. Massoud, eds. (Electrochem. Soc. Proc., Pennington, NJ, 1995).  "ErO and ErF Reactions in Silicon" F.Y.G. Ren, S.T. Dunham, J. Michels, B. Zheng, L. Giovane, L.C. Kimerling, in Proceeding of the 36th Electronic Materials Conference(TMS, Warrendale, PA, 1994).  "Atomistic Models of VacancyMediated Dopant Diffusion in Silicon at High Doping Levels," S.T. Dunham and C.D. Wu, in NUPAD '94(IEEE, Piscataway, NJ, 1994) pp. 101104.  "Kinetics of Dopant Precipitation in Silicon," S.T. Dunham, in Silicon Materials Science & Technology H. Huff, W. Bergholz, and K. Sumino, eds.(Electrochem. Soc. Proc., Pennington, NJ 1994) pp 711719.  "Modeling of Dopant Diffusion during Annealing of SubAmorphizing Implants," S.T. Dunham, in Materials Synthesis and Processing Using Ion Beams, R.J. Culbertson, O.W. Holland, K.S. Jones, and K Maex, eds. (Mat. Res. Soc. Proc., Pittsburgh, PA, 1994), pp. 197204. [ PDF ] [ Postscript ]  "Consistent Quantitative Models for the Coupled Diffusion of Dopants and Point Defects in Silicon," S.T. Dunham, in 1993 International Workshop on VLSI Process and Device Modeling (VPAD 1993), K. Asada, ed (Japan, 1993) pp. 4649.  "Improved Analysis of Spreading Resistance Measurements" S.T. Dunham, N. Collins, and N. Jeng, in Measurement and Characterization of UltraShallow Doping Profiles in Semiconductors, R. Subrahmanyan, C. Osburn, and P. RaiChoudhury, eds. (MCNC, Research Triangle Park, NC, 1993) pp. 4453.  "Models for the Physical Extent of Point Defect Interactions in Silicon," A.M. Agarwal and S.T. Dunham, in Process Physics and Modeling in Semiconductor Technology, G.R. Srinivasan, K. Taniguchi, and C.S. Murthy, eds. (Electrochem. Soc. Proc. 936, Pennington, NJ, 1993) pp. 149158.  "Dopant Diffusion in Polysilicon," M. Matsuoka and S.T. Dunham, in Process Physics and Modeling Semiconductor Technology,G.R. Srinivasan, K. Taniguchi, and C.S. Murthy, eds. (Electrochem. Soc. Proc. 936, Pennington, NJ, 1993) pp. 8897  "Modeling of Phosphorus Diffusion in Silicon," S.T. Dunham, in Process Physics and Modeling Semiconductor Technology G.R. Srinivasan, K. Taniguchi, and C.S. Murthy, eds. (Electrochem. Soc. Proc. 936, Pennington, NJ, 1993) pp. 8897  "Modeling of the Coupled Diffusion of Phosphoruswith Point Defects," S.T. Dunham, in Role of Point Defects/Defect Complexes in Silicon Device Fabrication B. Sapori, ed. (NREL, 1992).  "Damage of SiCrystal during Implantation by Low Energy Ions," Y. Levin, N. Herbots, and S.T. Dunham in Defect Engineering in Semiconductor Growth, Processing and Device Technology, S. Ashok, J. Chevakkier, K. Sumino, and E.R. Weber, eds. (Mat. Res. Soc. Proc., Pittsburgh, PA 1992), pp. 103742.  "Determination of Silicon Point Defect Properties using Buried Layers and Membranes," S.T. Dunham, A. Agarwal, and N. Jeng, in Process Physics and Modeling Semiconductor Technology, G.R. Srinivasan, J. Plummer, and S. Pantelides eds. (Electrochem. Soc. Proc. 914, Pennington, NJ, 1990) pp. 516528.  "Point Defect Models forHigh Concentration Phosphorus Diffusion," S.T. Dunham, and R.A. Meade, in Process Physics and Modeling Semiconductor Technology, G.R. Srinivasan, J. Plummer, and S. Pantelides eds. (Electrochem. Soc. Proc. 914, Pennington, NJ, 1990) pp. 287303.  "Measurements of Enhanced Diffusion of Buried Layers in Silicon Membranes during Oxidation," S.T. Dunham, A.M. Agarwal, and N. Jeng, in Impurities, Defects and Diffusion in Semiconductors, J. Bernholc, E.E. Haller, and D.J. Wolford, eds. (Mater. Res. Soc. Proc. 163, Pittsburgh, PA, 1990) pp. 543548.  "Behavior of Interstitials Near NonOxidizing SiSiO2 Interfaces," S.T. Dunham, in Ultra Large Scale Integration Science and Technology, C.M. Osburn and J. Andrews, eds. (Electrochem. Soc. Proc. 899, Pennington, NJ, 1989).  "Interstitial Fluxes during Silicon Oxidation," S.T. Dunham, in Physics and Chemistry of SiO2 and SiSiO2 Interface, C.R. Helms and B.E. Deal eds. (Plenum, New York, NY 1988) pp. 477484.  "The Effects of the Interface Roughness on Ellipsometric Measurements of Thin Oxides," S.T. Dunham and B. Agrawal, in SiO2 and Its Interfaces, G. Lucovsky and S. Pantelides, eds. (Mater. Res. Soc. Proc. 105, Pittsburgh, PA 1988) pp 301305.  “Modeling of Topography Evolution during Spin on Glass Planarization,” John Smythe, MSE, March 2009. [PDF]  “Modeling and Design of Hybrid Silicon/Electrooptic Polymer Photonic Waveguide Devices,” Kjersti Kleven, EE, September 2008.[PDF]  “Modeling of Effects of Surface Roughness and Barrier Layers on Conduction in Metal Nanostructures,” Baruch Feldman, Physics, September 2008. [PDF]  “Diffusion and Precipitation Models for Silicon Gettering and Ultra Shallow Junction Formation,” HsiuWu (Jason) Guo, Electrical Engineering, February 2008. [PDF]  “DFT Calculations of Stress and Impurity Interactions in Silicon,” Chihak Ahn, Physics, August 2007. [PDF]  "Modeling and Simulation of Arsenic Activation and Diffusion in Silicon", Pavel Fastenko, Ph.D. Thesis, University of Washington (2002). [PDF] [Postscript]  "Physics and Modeling of Ion Implantation Induced Transient Enhanced Deactivation and Diffusion Processes In Boron Doped Silicon", Srinivasan Chakravarthi, Ph.D. Thesis, Boston University (2000). [PDF] [Postscript]  "Kinetic Lattice Monte Carlo and Ab Initio Study of Point Defect Mediated Diffusion of Dopants in Silicon," Marius Bunea, PhD Thesis, Boston University 2000 [Postscript] [PDF]  "Modeling and Simulation of Transient Enhanced Diffusion Based on Interactions of Point and Extended Defects," Alp Gencer, PhD Thesis, Boston University 1999 [Postscript] [PDF]  "Modeling Dose Loss at the SiliconSilicon Dioxide Interface," Brendon Murphy, Masters Thesis, Boston University 1998 [Postscript] [PDF]  "Density Relaxation and Impurity Incorporation in Thin Silicon Dioxide Films and Their Effects on Boron Diffusion," Dr. Mitra Navi, Ph.D. Thesis, Boston University 1998  "Modeling of Dopant Diffusion in Polysilicon Incorporating Effects of Grain Boundary Motion," Soumya Banerjee, Masters Thesis, Boston University 1996  "Development and Characterization of Process Simulation Models for Diffusion and CoDiffusion of Dopants in Silicon," Dr. Frederick P. Wittel, Ph.D. Thesis, Boston University 1995  "The Spatial Extent of Point Defects in Silicon: Experiments and Modeling," Dr. Anuradha M. Agarwal, Ph.D. Thesis, Boston University 1994  "Monte Carlo Lattice Simulations of VacancyMediated Diffusion in Silicon," CanDong Wu, Masters Thesis, Boston University 1994  "Studies of Nucleation for the Freezing Transition in Models of Simple Fluids," Dr. Iuval Clejan, Ph.D. Thesis, Boston University  "Oxidation of Silicon in Chlorine Containing Ambients," Mitra Navi, Masters Thesis, Boston University 1993  "Point Defect Generation during Oxidation of Silicon in Dry Oxygen," Scott T. Dunham, Ph.D. Thesis, Stanford University, 1985  SRC Documents (Password Protected, send email for access)

