SYMPOSIUM L - Ab-Initio Approaches to Microelectronics Materials and Process Modelling

Symposium Organizers:

Jim GREER, National Microelectronics Research Centre, Cork, Ireland

Tom VROTSOS, Texas Instruments Incorporated, Dallas, TX, USA

Sigeo IHARA, Central Research Laboratory, Hitachi, Ltd., Tokyo, Japan


Wednesday June 2, 1999 - Afternoon

Mercredi 2 juin 1999, Après midi

  14:00-14:10   Chairmen’s Welcome
Session I      
L-I.1 14:10-14:50 Invited AB INITIO METHODS AS AN INTEGRAL PART OF MICROELECTRONIC MATERIALS MODELLING- STATUS AND PERSPECTIVES, E. Wimmer, Molecular Simulations, Parc Club Orsay Université, 20 rue Jean Rostand, 91893 Orsay Cedex
L-I.2 14:50-15:30 Invited INTEGRATION OF REACTIVE PROCESS MODELING INTO SEMICONDUCTOR TECHNOLOGY DEVELOPMENT, E.W. Egan, Reaction Design, 6500 Dublin Blvd., Suite 214, Dublin, CA 94568, USA
L-I.3 15:30-15:50   THEORETICAL STUDY OF THE MECHANISM OF SILICON NITRIDE CVD FROM DICHLOROSILANE AND AMMONIA, A. Korkin, Motorola, Inc. Laboratory, Predictive Engineering Lab, Semiconductor Products Sector, 2200 W. Broadway Rd., MD M360, Mesa AZ 85296, USA
  15:50-16:10   BREAK
Session II      
L-II.1 16:10-16: 50 Invited IMPACT OF QUANTUM CHEMISTRY CALCULATIONS ON THE SIMULATION OF DEPOSITION PROCESSES, M. Hierlemann, Siemens Semiconductors, HL SIM, 81730 Munich, Germany
L-II.2 16:50-17:10   ATOMIC LEVEL MODELING OF BORON DIFFUSION THROUGH SILICON OXIDE BEFORE AND AFTER PLASMA NITRIDATION, V. Zubkov, LSI Logic, 3115 Alfred St., Santa Clara CA 95054, USA
L-II.3 17:10-17:30   ATOMIC SCALE SIMULATION OF THE Si(100) THERMAL OXIDATION: FROM A QUANTUM LEVEL APPROACH TO KINETIC MONTE CARLO, A. Estève, LAAS-CNRS, MIS, 7 av. du Colonel Roche, 31077 Toulouse, France
L-II.4 17:30-17:50   THEORETICAL STUDY OF A MECHANISM OF CHEMICAL VAPOR DEPOSITION OF Ta2O5 FROM TaCl5 AND H2O; M. Siodmiak, G. Frenking, Fachbereich Chemie, Philipps-Universitaet Marburg, Hans Meerwein Str., D-35032 Marburg, Germany, and A. Korkin, Predictive Engineering Lab, Motorola Inc., Mesa AZ 85202, USA

Thursday June 3, 1999 - Morning

Jeudi 3 juin 1999, Matin

Session III      
L-III.1 8:30-8:50   Theoretical Study of Non-contact atomic force microscopy imaging, A.S.Foster, L.Kantorovich, A.Shluger and A.Livshits, Department of Physics and Astronomy, University College London, Gower Street, London,WC1E 6BT, England
L-III.2 8:50-9:10   Oxidation mechanism of fluorocarbon-incorporated silica for interlayer dielectric materials, Satoshi Sugahara and Masakiyo Matsumura, Department of Physical Electronics, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro-ku, Tokyo 152-8550, Japan
L-III.3 9:10-9:30   RESISTIVITY MECHANISM IN CARBON NANOTUBES CAUSED BY ISOTOPE SCATTERING, S.V. Rotkin, Igor Yu. Solov’ev, Ioffe Institute, Politechnicheskaya 26, 194021 St. Petersburg, Russia
L-III.4 9:30-9:50   CLUSTER ION IMPLANTATION : A MOLECULAR DYNAMICS STUDY, S. Ihara and S. Itoh, Central Research Laboratory, Hitachi, Ltd., 1-280 Higashi-Koigakubo, Kokubunji, Tokyo 185-8601, Japan
L-III.5 9:50-10:30 Invited KINETIC MONTE CARLO SIMULATIONS : AN ACCURATE BRIDGE BETWEEN AB INITIO CALCULATIONS AND STANDARD PROCESS EXPERIMENTAL DATA, M. Jaraiz, E.T.S.I. Telecomunicacion, 47011 Valladolid, Spain and Lucent Technologies, 600 Mountain Av., Murray Hill, NJ

Poster Session

10 :30-11 :30

L-P1 FIRST PRINCIPLES CALCULATIONS OF HYDROGEN ANNEALED AMORPHOUS SiO2 STRUCTURES AND Si/SiO2 INTERFACE FOR NON VOLATILE MEMORIES, A. Courtot-Descharles, P. Paillet, J.L. Leray, O. Musseau, CEA-DAM Ile de France, BP 12, 91680 Bruyeres le Chatel, France
L-P2 THE DOPANT FIELDS IN "DIFFUSION LAYER", "GLOBAL-CONVECTION" AND "PRECRYSTALLIZATION ZONE" MODELS, A.M. Balint, University of the West Timisoara, Blv. Parvan no.4, 1800 Timisoara, Romania
L-P3 AUGMENTED CYLINDRICAL WAVE METHOD FOR BAND STRUCTURE OF QUANTUM NANOWIRES, P.N. D’yachkov, O.M. Kepp, A.V. Nikolaev, Institute for General and Inorganic Chemistry of Russian Academy of Sciences, Leninskii pr. 31, Moscow, 117907, Russia
L-P4 AB INITIO COMPUTATION OF THE FRAGMENTATION PATHWAYS OF Cu(hfac)2 LEADING TO CVD COPPER METALLIZATION, M. Nolan and J. C. Greer, National Microelectronics Research Centre, University College, Prospect Row, Lee Maltings, Cork, Ireland
L-P5 THE ROLE OF RELAXATION MECHANISMS ON RADIATIVE AND AUGER RECOMBINATION IN SEMICONDUCTOR QUANTUM WELLS, A.S. Polkovnikov, Ioffe Institute, Politechnicheskaya 26, 194021 St. Petersburg, Russia
L-P6 STRUCTURE AND VIBRATIONAL FREQUENCIES OF DI- AND MONOMETHYL ALUMINUM, ZINC, AND BORON DERIVATIVES ON A CHEMICALLY MODIFIED SIO2 SURFACE, A.A. Bagatur’yants, Photochemistry Center, Russian Academy of Sciences, ul. Novatorov 7a, Moscow 117421, Russia, S.K. Ignatov, Department of Chemistry, University of Nizhny Novgorod, pr. Gagarina 23, Nizhny Novgorod 603600, Russia, and O. Gropen, Department of Chemistry, Faculty of Science, University of Tromsø, 9037 Tromsø, Norway
L-P7 EXPERIMENTAL AND THEORETICAL STUDY OF COPPER-CARBON INTERFACE, S. Dorfman, Dept. of Physics, Technion, 32000, Haifa, Israel
L-P8 ENHANCED SEMIEMPIRICAL POTENTIALS IN MOLECULAR DYNAMICS SIMULATIONS OF WAFER BONDING, D. Conrad, K. Scheerschmidt, A. Belov, and D. Timpel, Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle, Germany
L-P9 ELECTRONIC STRUCTURE OF SnO2 (110) SURFACE, Tapio T. Rantala, University of Oulu, Department of Physical Sciences, Box 3000, 90401 Oulu, Finland
L-P10 COMPARISONS OF 3C-SiC, 6H-SiC AND 4H-SiC MESFETs PERFORMANCES, C.C. Codreanu, National Institute of Microtechnologie, Discrete Devices, PO Box: 38-160, 72225-Bucharest, Romania
L-P11 INVESTIGATION OF ENERGY MATRIX ELEMENTS FOR SILICON GERMANIUM ALLOYS, J.C. Greer, National Microelectronics Research Centre, University College, Prospect Row, Lee Maltings, Cork, Ireland
L-P12 DEPTH AND VACANCY PROFILES OBTAINED FROM SIMULATION OF GaAs BOMBARDED WITH NOBLE GAS IONS USING MARLOWE, M. Swart, University of the North, P. O. Box 4179, Pietersburg, 0700, South Africa, F. D. Auret, S. A. Goodman, University of Pretoria, Pretoria, 0002, South Africa
L-P13 THEORETICAL STUDY OF A MECHANISM OF CHEMICAL VAPOR DEPOSITION OF Ta2O5 FROM TaCl5 AND H2O; M. Siodmiak, G. Frenking, Fachbereich Chemie, Philipps-Universitaet Marburg, Hans Meerwein Str., D-35032 Marburg, Germany, and A. Korkin, Predictive Engineering Lab, Motorola Inc., Mesa AZ 85202, USA

 

Session IV      
L-IV.1 11:30-11:50   CLASSICAL MD SIMULATIONS OF ATOMIC DISPLACEMENTS IN 4H-, 6H-, AND 3C-SIC, V.I. Belko, Belorussian State University, Scorina av. 4, 220050 Minsk, Belarus and M. Posselt, Forschungszentrum Rossendorf, P.O.Box 510119, 01314 Dresden, Germany
L-IV.2 11:50-12:10   Segregation of Phosphorus to Si/SiO2 Interfaces, J. D browski and H.-J. Müssig, Institute for Semiconductor Physics, Walter-Korsing-Str. 2, 15230 Frankfurt (Oder), Germany
L-IV.3 12:10-12:30   MICROSCOPIC MECHANISMS OF SURFACE SEGREGATION OF Ge AT Si/SiGe(001), P. Boguslawski, Instytut Fizyki PAN, Al. Lotnikow 32/46, 02-668 Warsaw, Poland and J. Bernohlc, NCSU, Raleigh NC 27695, USA
  12:30-14:00   LUNCH

Thursday June 3, 1999 - Afternoon

Jeudi 3 juin 1999, Après mid

Session V      
L-V.1 14:00-14:40 Invited THEORY OF ELECTRON TRANSPORT IN SMALL SEMICONDUCTOR DEVICES USING THE PAULI MASTER EQUATION, M.V. Fischetti, IBM Research Division, Thomas J. Watson Research Center, P.O.Box 218, Yorktown Heights NY 10598, USA
L-V.2 14:40-15:00   AB INITIO CALCULATIONS OF OPTICAL PROPERTIES FOR THE DESIGN OF THERMOPHOTOVOLTAIC DEVICES, W. Wolf*, C.B. Geller**, T.S. Blazeck** and E. Wimmer*; *Molecular Simulations (MSI), Orsay, France, **Bettis Atomic Power Laboratory, West Mifflin PA, USA
L-V.3 15:00-15:20   A TEMPERATURE DEPENDENT MODEL FOR THE SATURATION VELOCITY IN SEMICONDUCTOR MATERIALS, R. Quay, C. Moglestue, Fraunhofer-Institute of Applied Solid State Physics, Tullastr. 72, 79108 Freiburg, Germany, V. Palankovski, S. Selberherr, TU Vienna, Gusshausstr. 27-29, 1040 Vienna, Austria
L-V.4 15:20-16:00 Invited SIMULATING SCANNING FORCE MICROSCOPY ON PERFECT AND DEFECTIVE IONIC SURFACES, A.L.Shluger, A.S.Foster, L.Kantorovich, and A.Livshits, Department of Physics and Astronomy, University College London, Gower Street, London,WC1E 6BT, England, and A.L.Rohl, School of Applied Chemistry, Curtin University of Technology, PO Box U 1987, Perth, 6845 Western Australia
  16:00-16:30   BREAK
  16:30-17:30   PANEL DISCUSSION

E. Wimmer, E.W. Egan, A. Korkin, V. Zubkov, M. Hierlemann, M.V. Fischetti

End of Symposium L