SYMPOSIUM
C - Progress in Computational Materials Science
Symposium Organizers:
Hugues DREYSSE, IPCMS-GEMME, Université Louis Pasteur, Strasbourg, France
Luc T. WILLE, Department of Physics, Florida Atlantic University, Boca Raton (FL), US
The assistance provided by
- STARLAB NV (Belgium)
- Collaborative Computational Project 3 (CCP3)
- Project STRUC
- European Science Foundation
- TMR Network "Interface Magnetism"
- Université Louis Pasteur
- IPCMS
is acknowledged with gratitude.
Tuesday, June 1, 1999 - Morning
Mardi 1er juin 1999, Matin
Session I - Electronic Structure (First Principles)
| C-I.1 | 9:00-9:30 | -Invited- | COMPUTATIONAL MATERIALS SCIENCE WITH DFT AND MOLECULAR DYNAMICS: RECENT APPLICATIONS, W. Andreoni, IBM Research Division, Zurich Research Laboratory, 8803 Ruschlikon, Switzerland |
| C-I.2 | 9:30-9:45 | DISSOCIATION PATHWAYS OF OXYGEN ON COPPER (110) SURFACE: A FIRST PRINCIPLES STUDY, S.Y. Liem, J.H.R. Clarke, Department of Chemistry, UMIST, PO Box 88, Manchester M60 1QD, UK and G. Kresse, Institut für Theoretische Physik and Centre for Computational Material Science, Technische Universität Wien, Wiedner Hauptstr. 8-10, 1040 Wien, Austria | |
| C-I.3 | 9:45-10:00 | AB-INITIO CALCULATION OF THE ADHESION ENERGY OF Nb(111), Cu(111), Al(111)/(a -ALUMINA(0001) INTERFACES, I.G. Batirev, A. Alavi, M.W. Finnis, Atomistic Simulation Group, The Queen's University of Belfast, Belfast BT7 1NN, Northern Ireland, UK | |
| 10:00-10:30 | BREAK | ||
| C-I.4 | 10:30-10:45 | -Invited- | ELECTRONIC PROPERTIES AND GROWTH MECHANISMS OF BxCyNz NANOTUBES: AN AB-INITIO STUDY, X. Blase, J.-C Charlier, A. De Vita, R. Car*, Université Claude-Bernard Lyon I, Département de Physique des Matériaux, CNRS-UMR 5586, 43 bld du 11 novembre 1918, 69100 Villeurbanne, France, *Institut Romand de Recherche en Physique des Matériaux (IRRMA), PPH-Ecublens, 1015 Lausanne, Switzerland. |
| C-I.5 | 11:00-11:15 | ATOMIC STRUCTURE AND VIBRATIONAL PROPERTIES OF ICOSAHEDRAL a -BORON AND B4C BORON CARBIDE, R. Lazzari, N. Vast, J.M. Besson*, S. Baroni** and A. Dal Corso** ; Commissariat à l'Energie Atomique,CEB, 91680 Bruyères le Châtel, France ; *Physique des Milieux Condensés, UMR CNRS 7602, Université Pierre et Marie Curie, 4 place Jussieu, 75252 Paris, France ; ***Scuola Internationale Superiore di Studi Avanzati and INFM, Via Beirut 2-4, 34014 Trieste, Italy. | |
| C-I.6 | 11:15-11:30 | STRUCTURAL AND ELECTRONIC PROPERTIES OF ALUMINO.SILICATE GARNETS UNDER PRESSURE: AN AB INITIO STUDY, L. Akhmatskaya, R. Nobes, FECIT, 2 Longwalk Road, Stockley Park, Uxbridge UB11 1AB, UK ; V. Milman, MST, The Quorum, Barnwell Road, Cambridge CBS 8RE, UK and B. Winkler, Institut für Geowissenschaften, Mineralogie/Kristallographie, Olshausenstr 40, 24098 Kiel, Germany | |
| C-I.7 | 11:30-12:00 | -Invited- | FIRST PRINCIPLES SIMULATIONS OF DISORDERED GeSe2 SYSTEMS, C. Massobrio, IPCMS-Strasbourg, 23 rue du Loess, 67037 Strasbourg, France. |
| 12:00-14:00 | LUNCH |
Tuesday June 1, 1999 - Afternoon
Mardi 1er juin 199, Après-midi
Session I - Electronic Structure (First Principles) (continued)
| C-I.8 | 14:00-14:30 | -Invited- | FIRST PRINCIPLES QUANTUM CALCULATIONS FOR MOLECULES AT SURFACES, IN SOLIDS AND IN LIQUIDS. B. Delley, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland |
| C-I.9 | 14:30-14:45 | CALCULATED ELECTRONIC AND OPTICAL PROPERTIES OF TRANSITION METAL OXIDES AND HALIDES BY LSDA AND LDA +U METHODS, O.Bengone, M. Alouani, IPCMS-GEMME, 23 rue du Loess, 67037 Strasbourg, France, J. Hugel, IPC, 1 bd Arago, 57078 Metz Cedex 3, France, P.E. Blöchl, IBM Reserach Division, Zurich Research Laboratory, 8803 Rüschlikon, Switzerland | |
| C-I.10 | 14:45-15:00 | FIRST PRINCIPLES PSEUDOPOTENTIAL CALCULATION OF MAGNETIC PROPERTIES OF IRON CLUSTERS IN DIFFERENT ENVIRONMENTS, J. Izquierdo, A. Vega, L.C. Balbas, Dept. Fisica Teorica, Facultad de Ciencias, Prado de la Madalena s/n, 47011 Valladolid, Spain and P. Ordejon, Dept. Fisica, Facultad de Ciencias, Calvo Sotelo s/n 33007 Oviedo, Spain | |
| C-I.11 | 15:00-15:15 | A FIRST-PRINCIPLES STUDY OF CuZnAl ALLOYS, V. Crisan, H. Ebert, Institut für Physikalische Chemie, Universität München, 80333 München, Germany; P. Entel, Theoretische Physik, Gerhard-Mercator-Universität Duisburg, 47048 Duisburg, Germany and H. Akai, Department of Physics, Osaka University, Toyonaka, Osaka 560, Japan | |
| C-I.12 | 15:15-15:30 | THE FORMATION ENERGY FOR STEPS AND KINKS ON CUBIC TRANSITION METAL SURFACES, L. Vitos, Condensed Matter Theory Group, Physics Department, Uppsala University, 475121 Uppsala, Sweden; H.L. Skriver, Center for Atomic-scale Materials Physics and Department of Physics, Technical University of Denmark, 2800 Lyngby, Denmark and J. Kollar, Reserch Institute for Solid State Physics and Optics, P.O. Box 49, 1225 Budapest, Hungary | |
| 15:30–16:00 | BREAK |
Session II - Electronic Structure (Empirical methods and beyond)
| C-II.1 | 16:00-16:30 | -Invited- | MODELS OF ZIRCONIA, FROM AB INITIO TO EMPIRICAL, W. Finnis, A. T. Paxton, S. Fabris and N. A. Marks, Atomistic Simulation Group, School of Mathematics and Physics, The Queen's University of Belfast, Belfast BT7 1NN, Northern Ireland |
| C-II.2 | 16:30-16:45 | A NEW spd TIGHT-BINDING MODEL OF MAGNETISM IN TRANSITION METALS, C. Barreteau, R. Guirado-López*, M.C. Desjonquères, D. Spanjaard*, A.M. Oles, CEA/ DSM/ DRECAM/ SRSIM, CE de Saclay, 91191 Gif sur Yvette, France ; *Laboratoire de Physique des Solides, Université Paris-Sud, 91405 Orsay, France | |
| C-II.3 | 16:45-17:00 | REAL-SPACE TIGHT-BINDING APPROACH TO ELECTRONIC STRUCTURE AND STABILITY IN SUBSTITUTIONAL ALLOYS, J.P. Julien, Centre Universitaire de Polynésie Française, BP 6570 Faaa-Aeroport, Polynésie Française, D. Mayou, CNRS-LEPES, 25 Av. des MArtryrs, BP 166X, 38042 Grenoble Cedex 9, France and P.E.A. Turchi, Lawrence Livermore National Laboratory, L-268, P.O. Box 808, Livermore 94551, USA | |
| C-II.4 | 17:00-17:15 | TIGHT-BINDING SECOND-MOMENT INTERATOMIC POTENTIAL FOR ALUMINUM DETERMINED FROM TOTAL-ENERGY CALCULATION AND ITS APPLICATION TO MOLECULAR DYNAMICS, N.I. Papanicolaou, G.A. Evangelakis, G.C. Kallinteris, Department of Physics, Solid State Division, University of Ioannina, P.O.Box 1186, GR-45110 Ioannina, Greece and D.A. Papaconstantopoulos,Complex Systems Theory Branch, Naval Research Laboratory, Washington, D.C.20375-5345,USA | |
| C-II.5 | 17:15-17:30 | COMPUTER MODELLING OF COMPLEX MOLECULAR IONIC MATERIALS, R.A. Jackson and K.A. Mort, Chemistry Department, Keele University, Keele, Staffs ST5 5BG, UK | |
| C-II.6 | 17:30-17:45 | THE CONSTRUCTION AND USE OF ENHANCED IONIC MODELS USING AB INITIO CALCULATIONS, M. Wilson and P.A. Madden, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford, DXI 3QZ, UK | |
| C-II.7 | 17:45-18:00 | INDIUM: ORIGIN OF DISTORTED STRUCTURE AND BEHAVIOUR UNDER HIGH PRESSURE, S.I. Simak, Department of Applied Physics, Chalmers University of Technology and Gothenburg University, 41296 Gothenburg, Sweden, U. Häussermann and S. Lidin, Department of Inorganic Chemistry, Stockholm University, 10691 Stockholm, Sweden, R. Ahuja and B. Johansson, Condensed Matter Theory Group, Uppsala University, Box 530, 75121 Uppsala, Sweden. | |
| C-II.8 | 18:00-18:15 | STRUCTURAL AND ELECTRONIC PROPERTIES OF HIGH TEMPERATURE FLUID SELENIUM, C. Bichara, CTM-CNRS, 26 rue du 141 R.I.A., 13003, Marseille, France, CRMC2-CNRS, Campus de Luminy, Case 913, F13288 Marseille, Cedex 09, France, J.-Y. Raty, and J.-P. Gaspard, Condensed Matter Physics Lab., University of Liège - B4000- Sart Tilman - Belgium |
Wednesday June 2, 1999 - Afternoon
Mercredi 2 juin 1999, Après-midi
Session III - Defects
| C-III.1 | 14:00-14:30 | -Invited- | VOID PROPAGATION INTO A CURRENT-CARRYING METAL STRIP: AN ELECTRICAL ANALOG OF THE SAFFMAN-TAYLOR PROBLEM, M. Ben Amar, Laboratoire de Physique Statistique, 24 rue Lhomond, 75231 Paris Cedex 05, France |
| C-III.2 | 14:30-14:45 | Monte Carlo 3-dimensional simulations of electromigration in polycrystalline metal films, P. Bruschi, A. Nannini and M. Piotto, Dipartimento di Ingegneria dell’Informazione: Elettronica, Informatica, Telecomunicazioni, via Diotisalvi 2, 56126 Pisa, Italy | |
| C-III.3 | 14:45-15:00 | OPTIMAL COMPUTER SIAIULATION OF SINGLE ELECTRON DEVICE RESPONSE, A.S. Cordan, Y. Leroy and A. Goltzené, ERM - PHASE, ENSPS, Boulevard Sébastien Brant, 67400 Illkirch, France | |
| C-III.4 | 15:00-15:15 | Co ADATOMS AND CLUSTERS ON Au(100): ENERGETICS OF SITE EXCHANGE, V.S. Stepanyuk and W. Hergert, Martin-Luther-University Halle-Wittenberg, 06099 Halle, Germany | |
| C-III.5 | 15:15-15:30 | STUDY OF OXYGEN VACANCIES IN SILICA Nathalie Capron, Stéphane Carniato, Gérard Boureau, Laboratoire de chimie physique, 11 rue P. et M. Curie, 75231 Paris Cedex 5 and Alain Pasturel Laboratoire de Physique numérique, CNRS 25, rue des martyrs 38042 Grenoble, France | |
| C-III.6 | 15:30-16:00 | -Invited- | QUANTUM CHEMICAL MODELLING OF POINT DEFECTS IN KNbO3 PEROVSKITE CRYSTALS, E.A. Kotomin, R.I. Eglitis and G. Borstel, Fachbereich Physik, Universität Osnabrück, 49069 Osnabrück, Germany |
Poster Session I
16:00-18:00
| C-I/P1 | STRUCTURAL RELAXATION IN POLYETHYLENE OXIDE - SALT SOLUTIONS, G.-J. Bel, A.van Zon, S.W. de Leeuw, Dept. of Applied Physics, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft, The Netherlands |
| C-I/P2 | USING COMPUTATIONAL APPROACHES TO MODEL HEMATITE SURFACES, I. Lado-Tourino, F. Tsobnang, Institut Supérieur des Matériaux du Mans, 44, Av. F.A. Bartholdi, 72000 Le Mans, France; P. Ngoepe, Materials Modelling Centre, University of the North, Private Bag X1106, Sovenga 0727, South Africa |
| C-I/P3 | COMPUTATIONAL SIMULATIONS OF PULSED LASER INDUCED MELTING AND SOLIDIFICATION OF MONO- CRYSTALLINE GaSb, R. Cerny, Dept. Struct. Mech., Fac. Civil Engng., Czech Tech. Univ., Thakurova 7, 166 29 Prague 6, Czech Rep.; P. Prikryl, Math. Inst. Acad. Sci., Zitna 25, 115 67 Prague 1, Czech Rep; G. Ivlev, E. Gatskevich, Inst. Electr. Belarus Acad. Sci., 22 Logoiskii Trakt, 220090 Minsk, Belarus; M. Cernik, V. Chab, Inst. Phys. Acad. Sci., Cukrovarnicka lo, 160 00 Prague 6, Czech Rep |
| C-I/P4 | DETERMINATION OF THE c/a RATIO OF HEXAGONAL METALS WITH A TIGHT-BINDING METHOD, A. Béré, J. Chen, A. Hairie, G. Nouet and E. Paumier, LERMAT-ISMRA, 6 bd du Maréchal Juin, 14050 Caen Cedex, France |
| C-I/P5 | SPIN STRUCTURE OF SMALL Fe CLUSTERS FROM LOCAL SPIN, F. Calvayrac, Laboratoire de Physique de l’Etat Condense, UPRESA-CNRS 6087, Université du Maine, Faculté des sciences, 72085 Le Mans Cedex 9, France |
| C-I/P6 | MAGNETIC PROPERTIES OF 3d-DOPED TiSe2 AND TiTe2 INTERCALATE COMPOUNDS A.V. Postnikov, M.Neumann and St. Plogmann, Department of Physics, University of Osnabrück, D-49069 Osnabrück, Germany; Yu. M. Yarmoshenko and M.V. Yablonskikh, Institute of Metal Physics, GSP-170, 620219 Yekaterinburg, Russia; A.N. Titov and A.V. Kuranov, Ural State University, Condensed Matter Physics Department, 620083 Yekaterinburg, Russia |
| C-I/P7 | ORDER AND STRAIN EFFECTS ON THE X-RAY MAGNETIC CIRCULAR DICHROISM OF FePd MULTI-LAYERS, S. Ostanin, I. Galanakis, H. Dreyssé, M. Alouani, H. Ebert*, and J.M.Wills**, IPCMS(GEMME), 23 rue du Loess, 67037 Strasbourg Cedex, France; *Institute for Physical Chemistry, University of Munich, Theresienstr. 37, 80333 Miinchen, Germany; **Los Alamos National Laboratory, Los Alamos, NM 87544, USA |
| C-I/P8 | MAGNETISM OF HEXAGONAL V AND Cr MONOLAYERS FREE-STANDING AND ADSORBED ON Ag(111), M. Taguchi, P. Krüger*, C. Demangeat and J.C. Parlebas, IPCMS-GEMM, UM 75040, CNRS, 23 rue du Loess, 67037 Strasbourg Cedex, France* ISSP, University of Tokyo, Roppongi, Minato-ku, Tokyo 106, Japan |
| C-I/P9 | MAGNETIC BEHAVIOT OF Co NANOWIRES SUPPORTED ON Pd (110), R. Robles, J. Izquierdo, A. Vega, Dept. Fisica Teorica, Facultad de Ciencias, Prado de la Madalena s/n, 47011 Valladolid, Spain |
| C-I/P10 | TWO-DIMENSIONAL MnCo SURFACE ALLOY ON Co(001), S. Meza Aguilar, O. Elmouhssine, C. Demangeat and H. Dreyssé, IPCMS, 23 rue du Loess, 67037 Strasbourg Cedex, France |
| C-I/P11 | INTERFACE DEFECTS AND FORMATION OF NON- COLLINEAR MAGNETIC ORDERING IN Fe/Cr MULTILAYERS, N.S. Yartseva, S.V. Yartsev, Institute of Metal Physics, 620219 Ekaterinburg, Russia ; V.M. Uzdin, C. Demangeat, IPCMS, 23 rue du Loess, 67037, Strasbourg Cedex, France |
| C-I/P12 | OPTICAL ABSORPTION OF (001), (110) AND (111) SURFACES OF NOBLE METALS (Cu, Ag, and Au), M. Mebarki, A. Ziane1, S. Bouarab, M.A. Khan*, Institut des Science Exates, Université M. Mammeri, Tizi-Ouzou 15000, Algérie, *IPCMS, 23 rue du Loess, 67037 Strasbourg Cedex, France |
| C-I/P13 | EMBEDDED-CLUSTER AB INITIO STUDY OF THE OXYGEN VACANCY IN ALPHA QUARTZ, J. Garapon, ALCATEL, 53 rue Jean Broutin, 78000 Conflans Ste Honorine, France; V.B. Sulimov, Fiber Optical Research Center, Vavilov Street 38, Moscow 117942, Russia; B. Poumellec, Physico-Chimie de L’Etat Solide-CNRS, Université de Paris-Sud, Bat. 414, 91405 Orsay Cedex, France; C. Pisani and S. Casassa, Dipartimento di Chimica IFM, Università di Torino, via Giuria 5, 10125 Torino, Italy |
| C-I/P14 | MOLECULAR DYNAMICS STUDY OF SMALL CLUSTER DEPOSITIONS IN THE (001) AND (110) SURFACES OF SOME METALS, F. Palacios, M.P. Iñiguez, J.A. Alonso and M.J. López, Dept. Física Teórica, Universidad de Valladolid, Spain |
| C-I/P15 | TRANSITION ENERGIES OF AN EXCITON CHARGED NEGATIVELY IN THE PRESENCE OF MAGNETIC FIELD, D. Fristot, IPC-LPLI. Groupe de structure electronique des milieux denses, 1 Bd Arago, 57078 Metz Cedex 3 France. |
| C-I/P16 | FIRST PRINCIPLE CALCULATIONS ON THE ELECTRONIC STRUCTURE OF FeS, L. Koutti, O. Bengone, J. Hugel, IPC-LPLI, Groupe de Structure Electronique des Milieux Denses, 1 Bd Arago, 57078 Metz Cedex 3, France. |
| C-I/P17 | ADSORPTION OF GASES ON PT/NI (111) SYSTEMS, P. Légaré, LERCSI, Université Louis Pasteur, ECPM, 25 rue Becquerel, 67087 Strasbourg, France; G.F. Cabeza and N.J. Castellani, Departamento de Fisica, Universidad Nacional del Sur, 8000 Bahia Blanca, Argentina |
| C-I/P18 | ELECTRONIC STRUCTURE OF INTERDIFFUSED GaInAs(P) QUANTUM WELLS, J.P. Laurenti, O. Pages and N. Marréaud, Laboratoire de Physique des Liquides et des Interfaces, Université de Metz, 1 Bd Arago, 57078 Metz Cedex 3, France |
| C-I/P19 | FULL POTENTIAL BAND STRUCTURE CALCULATION OF IRON PYRITE, I. Opahle, Institute of Theoretical Physics, TU Dresden, 01062 Dresden, Germany ; K. Koepernik, MPI CPFS, 01187 Dresden, Germany, H. Eschrig, IFW Dresden, 01171 Dresden, Germany |
| C-I/P20 | THEORETICAL STUDY OF THE GROWTH OF Ir CLUSTERS ON Ir (111) AT INCREASING Ir CONCENTRATIONS, M. Habar, S. Ouannasser, L. Stauffer, H. Dreysse* and L. Wille**, Laboratoire de Physique et de Spectroscopie Electronique, FST, 4 rue des Frères Lumière, 68093 Mulhouse Cedex, France; *IPCMS 23 rue du Loess, 67037 Strasbourg, France; **Departement of Physics, Florida Atlantic University, Boca Raton FL 33431, USA |
| C-I/P21 | STRUCTURAL AND ELECTRONIC PROPERTIES OF CUnOm CLUSTERS, Y. Pouillon, M. Celino* and C. Massobrio, IPCMS, 23 rue du Loess, 67037 Strasbourg, France ; *HPCNP-ENEA Casaccia, 00100 Rome A. D., Italy. |
| C-I/P22 | A NEW DEVELOPMENT OF THE CLUSTER FIELD METHOD FOR DETERMINATION OF THE STRUCTURAL PHASE DIAGRAMS OF COMPLEX COMPOUNDS, V.M. Matic, Laboratory of Theoretical Physics and Solid State Physics, Institute of Nuclear Sciences - Vinca, P. O. Box 522, 11001 Belgrade, Serbia, Yugoslavia and S. Milosevic, Faculty of Physics, University of Belgrade, P.O.Box 550, 11001 Belgrade, Serbia, Yugoslavia |
| C-I/P23 | CALCULATION OF THE P-T PHASE DIAGRAM OF HAFNIUM, S.A.Ostanin, IPCMS - GEMME, 23, rue du Loess, F-67037 Strasbourg Cedex, France and V.Yu.Trubitsin Physics-Technical Institute, Ural Branch of RAS, 132 Kirov Str.,426001 Izhevsk, Russia |
| C-I/P24 | THE BEHAVIOUR OF EXCHANGE COUPLING IN Fe/Mo1-xRex/Fe MULTILAYERS,N.V.Skorodumova, S.I.Simak, Department of Applied Physics, Chalmers University of Technology and Gothenburg University, 41296 Gothenburg, Sweden, I.A.Abrikosov, B. Johansson, Condensed Matter Theory Group, Uppsala University, Box 530, 75121 Uppsala, Sweden, Yu.Kh.Vekilov, Department of Theoretical Physics, Moscow Steel and Alloys Institute, 117936 Moscow, Russia. |
| C-I/P25 | KINETICS OF ANTIPHASE BOUNDARIES RELAXATION, N.M. Gurova, N.V. Lomskikh, O.V. Andruhova, M.D. Starostenkov, Altai State Technical University, General Physics Dept., 46 Lenin St., 656099 Barnaul, Russia |
| C-I/P26 | MODELING OF ATOMIC CLUSTER ACCUMULATION IN C (BN) - NANOSTRUCTURES, S.A.Beznosjuk, M.S. Zhukovsky, D.A. Mezentsev, Altai State University, Dimitrov Street, 66, 656099 Barnaul, Russia and T.M. Zhukovsky, Altai Technical State University, Lenina Street, 46, 656099 Barnaul, Russia |
| C-I/P27 | FULLERENE-CLOSED NANOTUBE AS TIP OF ATOMIC FORCE MICRODCOPY INFLUENCE OF MD-RELAXATION ON IMAGE, A.V. Pokropivny, V.V. Pokropivny, Inst. for Problems of Materials Sci. of NASU, Krzhyzhanovsky str.3, 252142 Kiev, Ukraine. |
| C-I/P28 | NUMERICAL SIMULATION OF AXIAL AND RADIAL IMPURITY DISTRIBUTION UNDER GRAS MONOCRYSTALS GROWTH BY VERTICAL DIRECTIONAL CRYSTALLIZATION METHOD, A.A. Serov, Zelenograd Scientifica1Research Center "Elsov", 4 Zapadnyi Proezd, AO SKB NII "Vzlet", 103460, Moscow, Russia and V.M. Maslovsky, Zelenograd State Research Institute of Physical Problems, 103460, Moscow, Russia. |
| C-I/P29 | HOMOEPITAXIAL GROWTH KINETICS IN THE PRESENCE OF A SCHWOEBEL BARRIER, V.I. Trofimov, V.G. Mokerov, Institute of Radioengineering & Electronics of RAS, 11 Mokhovaya str., 103907 Moscow, Russia |
| C-I/P30 | ELECTRONIC STRUCTURE CBN/C, Si - SYSTEMS, V.V. Ilyasov, Don Technical University, Gagarin Sq.1, 344010 Rostov-on-Don, Russia |
| C-I/P31 | MANY-BODY INTERACTIONS MODEL INCORPORATED INTO BINARY COLLISIONS FOR MONTE CARLO STATISTICS OF RADIATION DAMADE IN SOLIDS, Alexander I. Melker and Sergey N. Romanov, Department of Metal Physics and Computer Technologies, Physics and Mechanics Faculty, St. Petersburg State Technical University, Polytekhnicheskaya 29, St. Petersburg, 195251, Russia |
| C-I/P32 | ISLANDS EVOLUTION ON EPITAXIAL FLUORIDE SURFACE, S.M.Suturin, N.L.Yakovlev, N.S.Sokolov, Ioffe Institute, 194021 St.Petersburg, Russia |
| C-I/P33 | PREDICTED MODIFICATIONS IN THE DIRECT AND INDIRECT GAPS OF Ge, A. Zaoui*, M. Certier, M. Ferhat, O. Pagès and H. Aourag, Université de Metz, L. P. L. I., 8 rue Marconi, Technopole 2000, 57078 Metz Cedex 3 - France |
| C-I/P34 | COMPARISON OF AB INITIO AND EMPIRICAL APPROACHES TO THE QUARTZ SURFACE, M.V. Koudriachova, J.V.L. Beckers, S.W. de Leeuw, Computational Physics, University of Technology, Lorentzweg 1, 2628 CJ Delft, The Netherlands. |
Thursday June 3, 1999 - Morning
Jeudi 3 juin 1999 Matin
Session IV - Mechanical Properties
| C-IV.1 | 9:00-9:30 | -Invited- | MICRO/MACRO MECHANICS OF METALLIC FOAMS, F.G. Rammerstorfer and T. Daxner, Institute of Lightweight Structures and Aerospace Engineering, Vienna University of Technology, Gusshausstr.27-29/E317, 1040 Vienna, Austria |
| C-IV.2 | 9:30-9:45 | A MODEL FOR DYNAMIC INSTABILITY OF BRITTLE FRACTURE, M. Adda-Bedia, M. Ben Amar, Laboratoire de Physique Statistique de l'Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris Cedex 05, France; R. Arias and F. Lund, Departamento de Fisica, Facultad de Ciencias Fisicas y Matematicas, Universidad de Chile, Casilla 487-3, Santiago, Chile. | |
| C-IV.3 | 9:45-10:00 | SIMULATIONS OF CRACK INITIATION IN SILICON, M. Maki-Jaskari, K. Kaski and A. Kuronen, Helsinki University of Technology, Laboratory of Computational Engineering, P.O.Box 9400, 02015 Hut, Finland | |
| 10:00–10:30 | BREAK | ||
| C-IV.4 | 10:30-11:00 | -Invited- | ATOMISTIC SIMULATIONS OF PLASTIC BEHAVIOR IN METALS, K.W. Jacobsen, CAMP, Dept. of Physics, Technical University of Denmark, 2800 Lyngby, Denmark |
| C-IV.5 | 11:00-11:15 | INFLUENCE OF DISLOCATION PROCESSES ON THE FORMATION OF DISLOCATION WALLS, J.M. Salazar and O. Politano, Université de Bourgogne, Fac. des Sciences Mirande LRRS UMR-CNRS 5613, B.P.47870, 21078 Dijon Cedex, France | |
| C-IV.6 | 11:15-11:30 | MOLECULAR DYNAMICS SIMULATION OF ELECTRONIC TRANSITIONS UNDER THERMAL EQUILIBRIUM AND SHOCK-WAVE CONDITIONS, D. Mathieu, CEA-LR, BP 16, 37260 Monts, France and P. Martin, CISI, aéropôle, imm. Rafale B, 1 rue Charles Lindbergh, 44340 Nantes-Bouguenais, France | |
| C-IV.7 | 11:30-11:45 | MULTI-SCALE SIMULATION OF SILICON MICROSYSTEMS, R.E. Rudd, Dept. of Materials, Univ. of Oxford, Parks Road, Oxford OX1 3PH UK and SFA Inc., 1401 McCormick Dr., Largo MD 20774 USA and J.Q. Broughton, Complex Systems Theory Branch, Naval Research Laboratory, Washington DC 20375-5345 USA and Yale School of Management, New Haven, CT 06520 USA | |
| C-IV.8 | 11:45-12:00 | MOLECULAR DYNAMICS SIMULATION IN THE STUDY OF MECHANICAL, VIBRATIONAL AND ELECTRONIC PROPERTIES OF CARBON NANOTUBES, Yu.I. Prylutskyy, S.S. Durov, O.V. Ogloblya, Kyiv Shevchenko University, Volodymyrs'ka Str., 64, 252033 Kyiv, Ukraine | |
| 12:00-14:00 | LUNCH |
Thursday June 3, 1999 Afternoon
Jeudi 3 juin 1999, Après-midi
Session V - Semiconductors
| C-V.1 | 14:00-14:30 | -Invited- | CLUSTERING OF LIKE--DEFECTS IN CRYSTALLINE SILICON, L. Colombo, INFM and Department of Materials Science, University of Milano ``Bicocca'', via Cozzi 53, 20125 Milano, Italy |
| C-V.2 | 14:30-14:45 | BAND TAILS INDUCED BY DOPING AMORPHOUS, G. Allan, C. Delerue and M. Lannoo, Institut d'Electronique et de Microélectronique du Nord - Département ISEN, BP 69, 59652 Villeneuve d'Ascq Cedex, France | |
| C-V.3 | 14:45-15:00 | SIMULATION OF THE THERMODYNAMIC AND THE ELECTRONIC STRUCTURE PROPERTIES OF AMORPHOUS SILICON VIA TIGHT BINDING MOLECULAR DYNAMICS, V. Rosato and M. Celino, ENEA, Ente per le Nuove Tecnologie, l'Energia e l'Ambiente, HPCN Project, C.R. Casaccia SP100, P.O.Box 2400, 00100 Roma A.D., Italy | |
| C-V.4 | 15:00-15:30 | -Invited- | POINT DEFECTS IN SILICON, FIRST-PRINCIPLES CALCULATIONS, M.J. Puska, Laboratory of Physics, Helsinki University of Technology, P.O.Box 1100, 02015 Hut, Finland |
| C-V.5 | 15:30-15:45 | CALCULATION OF DEFECT-INDUCED EFG IN CdTe, S. Lany, V. Ostheimer, H. Wolf, Th. Wichert, Technische Physik, Universität des Saarlandes, 66041 Saarbrücken, Germany and P. Blaha, Institute of Physical and Theoretical Chemistry, Vienna University of Technology, 1060 Vienna, Austria. | |
| C-V.6 | 15:45-16:00 | AN EMPIRICAL POTENTIAL FOR THE CALCULATION OF THE ATOMIC STRUCTURE OF EXTENDED DEFECTS IN WURTZITE GAN, N. Aichoune, V. Potin, P. Ruterana, A. Hairie, G. Nouet, E. Paumier, Laboratoire d'Etudes et de Recherches sur les Matériaux, LERMAT-ISMRA UPRESA N°6004 CNRS, 6 Bd du Maréchal Juin, 14050 Caen Cedex, France |
Poster session II
16:00-18:00
| C-II/P1 | ELECTRON SPIN LOCALISATION AND CORRELATION EFFECTS FOR POINT DEFECTS IN SEMI-IONIC SOLIDS, C.R.A. Catlow, F. Corˆ and A.A. Sokol, The Royal Institution of Great Britain, 21 Albemarle Street, London W1X 4BS, UK |
| C-II/P2 | A TIGHT-BINDING STUDY OF HYDROGEN IN DIAMOND: LOCATIONS, ELECTRONIC ENERGY LEVELS AND DIFFUSION, D. Saada, J. Adler and R. Kalish, Department of Physics and Solid State Institute, Technion-IIT, 32000 Haifa, Israel. |
| C-II/P3 | STRUCTURE AND ELECTRONIC PROPERTIES OF EXTENDED SELF-INTERSTITIAL DEFECTS IN SILICON, P. Alippi, L. Colombo, INFM and Department of Materials Science, University of Milano ``Bicocca'', via Cozzi 53, 20125 Milano, Italy |
| C-II/P4 | EFFECTS OF ISOTOPIC DISORDER ON THE RAMAN SPECTRA OF CRYSTALS: THEORY AND AB INITIO CALCULATIONS FOR DIAMOND AND GERMANIUM, N. Vast, Commissariat à l'Energie Atomique, CEB, 91680 Bruyères le Châtel, France and S. Baroni, Scuola Internationale Superiore di Studi Avanzati and INFM, Via Beirut 2-4, 34014 Trieste, Italy |
| C-II/P5 | RELATIVISTIC CALCULATIONS OF THE InN, InP and InAs (110) SURFACES, H. W. Leite Alves, J. L. A. Alves, DCNAT-FUNREI, CP 110, 36.300-000 São João del Rei, MG, Brazil, R. A. Nogueira, ICEx-UFMG, CP 701, 31.275-050 Belo Horizonte, MG, Brazil and J. R. Leite, LNMS-IFUSP, CP 66318, 05.389-970 São Paulo, SP, Brazil. |
| C-II/P6 | MESOSCOPIC MODELLING OF CHARGE EVOLUTION CONDUCTING POLYMERS, M.M.D. Ramos, Departamento Fisica, Universidade do Minho, Largo do Paco, 4709 Braga Codex, Portugal and A.M. Stoneham, Physics Department, University College London, Gower Street, London WOE 6BT, UK |
| C-II/P7 | NON-EMPIRICAL STUDY OF ENERGY PARAMETERS IN B2 and DO3 PHASES OF Fe-Al ALLOY, S. Dorfman, Dept. of Phys., Technion, 32000, Haifa, Israel, David Fuks and Vlad Liubich, Mat. Eng. Dept., BGU, Beer Sheva, Israel |
| C-II/P8 | FIRST PRINCIPLES MODELING OF TRANSITION METALS HYDROXONITRATES, C. Massobrio, P. Rabu and M. Drillon, IPCMS-Strasbourg, 23 rue du Loess, 67037 Strasbourg, France |
| C-II/P9 | FIRST PRINCIPLES CALCULATION OF IRON-DOPED HETEROFULLERENES, I.M.L. Billas*, C. Massobrio**, M. Boero*,***, M. Parrinello*, W. Branz*, F. Tast*, N. Malinowski*, M. Heinebrodt* and T.P. Martin* ; *Max-Planck Institut fur Festkörperphysik, Heisenbergstr.1, 70569 Stuttgart, Germany ; **IPCMS, 23 rue du Loess, 67037 Strasbourg, France, ***JRCAT-ATP, 1-1-4 Higashi, Ibaraki 305, Tsukuba-shi, Japan. |
| C-II/P10 | INFLUENCE OF DISORDER ON ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES IN Fe-RICH Fe--Si ALLOYS, D. Fristot, J. Hugel, IPC-LPLI, 1 Bd Arago, 57078 Metz Cedex 3 France; N.I. Kulikov, Institute of High Pressure Physics,Troitsk, Moscou region, 142092, Russia; A. Postnikov,Fachbereich Physik, Universität Osnabrück, 49069, Osnabrück, Germany. |
| C-II/P11 | COMPUTATION OF BRILLOUIN SCATTERING CROSS SECTIONS FOR MULTILAYERS, A. Amici, M.G. Beghi and C.E. Bottani, Nuclear Engineering Department, Politecnico di Milano, via Ponzio 34//3, 20133 Milano, Italy |
| C-II/P12 | TEMPERATURE DEPENDENT MAGNETIC BEHAVIOR OF' IRON SURFACES, A. Vega and A. Mokrani, Departamento de Fisica Teorica, Universidad de Valladolid, C/Rel de Burgos s/n. 47011 Valladalid, Spain. |
| C-II/P14 | DISTRIBUTION OF MAGNE C MOMENTS AND HY- PERFINE FIELDS FOR Fe/Cr MULTILAYERS WITH DIFFERENT INTERFACE ROUGHNESS, V.M. Uzdin, IPCMS, 23 rue du Loess, 67037 Strasbourg Cedex, France |
| C-II/P15 | CALCULATION OF SURFACE DEFECTS IN TRANSITION AND NOBLE METALS, B. Salanon, C. Barreteau, M.C. Desjonquères, D. Spanjaard* ; CEA DSM/DRECAM/SRSIM, CEA/Saclay, 91191 Gif sur Yvette, France ; *Laboratoire de Physique des Solides, Université Paris-Sud, 91405 Orsay, France. |
| C-II/P16 | OPTIMIZATION OF HETEROINTERFACES IN EPITAXIAL GROWTH, P. Masri, N. Moreaud, M. Averous, Groupe d'Etude des Semiconducteurs, CNRS, UMR 5650, Univ. Montpellier 2, cc074, 12 Place E. Bataillon, 34095 Montpellier Cedex 5, France |
| C-II/P17 | LAW OF WEARLESS FRICTION IN SUB-MICROMETER SCALE MACHINES STUDIED BASED ON ATOMISTIC SIMPLIFIED MD MODELS, K. Hayashi, S. Abe and N. Sakudo, Advanced Materials Science R&D Center, Kanazawa Inst. of Technol., 3-1, Yatsukaho, Matto, Ishikawa 924-0838, Japan |
| C-II/P18 | SIMPLE POLYNOMIAL APPROXIMATIONS FOR THE CONFIGURATIONAL ENTROPY, I. Tsatskis, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, UK |
| C-II/P19 | CALCULATIONOF THE SUPERCONDUCTING Tc FOR Nb AT HIGH PRESSURES, S. Ostanin, V. Trubitsin*, S. Savrasov**, M. Alouani and H. Dreyssé, IPCMS(GEMME), 23 rue du Loess, 67037 Strasbourg Cedex, France ; *Physico-Technical Institute, Ural Branch of RAS, 132 Kirov Str., 426001 Izhevsk, Russia ; **Max-Planck-Institut ffir Festkörperforschung, Heisenbergstrasse 1, 70569 Stuttgart, Germany |
| C-II/P20 | CRACK INITIATION AND GROWTH IN SILICON-CARBIDE, H. Lassalle, C. F. Cornwell, and L. T. Wille, Department of Physics, Florida Atlantic University, 777 Glades Road, Boca Raton, FL 33431, USA |
| C-II/P21 | TOPOLOGY OF THE POTENTIAL ENERGY SURFACE AND HEURISTIC OPTIMIZATION METHODS FOR LENNARD-JONES CLUSTERS, L. T. Wille, Department of Physics, Florida Atlantic University, 777 Glades Road, Boca Raton, FL 33431, USA |
| C-II/P22 | EFFECT OF INITIAL SURFACE ROUGHNESS ON KINETICS OF SILICON-ON-POROUS SILICON EPITAXY (COMPUTATIONAL MODELING), L.N. Aleksandrov, P.L. Novikov, A.V. Dvurechenskii, V.A. Zinovyev, Institute of Semiconductor Physics, Academy of Science of Russia, prospect Lavrentjeva 13, 630090 Novosibirsk, Russia |
| C-II/P23 | PRESSURE AND TEMPERATURE EFFECTS ON THE GAMMA, N AND L-PHONONS IN ZIRCONIUM, S.A.Ostanin, IPCMS-GEMME, 23, rue du Loess, F-67037 Strasbourg Cedex, France, E.I.Salamatov and V.Yu.Trubitsin, Physics-Technical Institute, Ural Branch of RAS, 132 Kirov, Str.,426001 Izhevsk, Russia |
| C-II/P24 | THE QUADRATIC FINITE ELEMENT THERMAL ANALYSIS OF SILICON IRRADIATED BY A PULSED KrF EXCIMER LASER, T. Nakamiya, Kyushu Tokai University, Toroku, 8628652 Kumamoto, Japan; T. Ikegami and K. Ebihara, Kumamoto University, Kurokami, 8608555 Kumamoto, Japan |
| C-II/P25 | MONTE-CARLO SIMULATION OF ORDER-DISORDER KINETICS IN BINARY ALLOYS, A. Kerrache, H. Bouzar, M. Zemirli, M.C. Cadeville* and A. Khan*, Institut des Sciences Exactes, Université M. Mammeri, Tizi-Ouzou 15000, Algérie ; * IPCMS-GEMME, 23 rue du Loess, 67037 Strasbourg, France |
| C-II/P26 | Andriotis |
| C-II/P27 | METAL DISSOLUTION/DEPOSITION IN PRESENCE OF AQUEOUS ELECTROLYTE. SEMI-EMPIRICAL HARTREE-FOCK AND AB INITIO MD CALCULATIONS, R.I. Eglitis*, S.V. Izvekov*, and M.R. Philpott*#, *Institute of Materials Research & Engineering, Blk 57, Level 3, National University of Singapore, Singapore 119260; #Department of Chemistry, National University of Singapore, 10 Kent Ridge Crescent, Singapore 119260 |
| C-II/P28 | NEW ADVANCES IN SEMIEMPIRICAL TIGHT-BINDING APPROACH. Z.M. Khakimov, Institute of Nuclear Physics, 702132, Ulughbek, Tashkent, Uzbekistan |
| C-II/P29 | COMPUTER INVESTIGATION OF ATOMIC STRUCTURE OF SPECIAL TILT GRAIN BOUNDARIES IN METALS, M.D. Starostenkov, B.F. Demyanov, E.A. Kuklina, S.V. Velovataya, General Physics Department, Altai State Technical University, Lenin st 46, Barnaul 656099, Russia |
| C-II/P30 | SIMULATION OF COARSENING KINETICS OF MISFITTING PARTICLES IN BINARE ALLOYS, A.V. Nazarov, M.G. Ganchenkova, Dept. of Materials Science, Moscow Engineering Physics Institute, 31 Kashirskoe shosse, Moscow 115409, Russia and A.A. Mikheev, Dept. of Metal Physics, I.P.Bardin Central Res. Institute of Ferrous Metallurgy, 9/23, 2-nd Baumanskaya, Moscow 107005, Russia |
| C-II/P31 | INVESTIGATION OF THE PHASE FORMATION WAVE IN THE MODEL OF SOLID STATE AMORPHIZATION, T.V. Ischenko, S.V. Demishev, General Physics Institute, Vavilov Str. 38, 117942 Moscow, Russia; W. Gust, Institut für Metallkunde, Seestr. 92, 70174 Stuttgart, Germany |
| C-II/P32 | COMPUTER SIMULATION OF ION IMPLANTATION INTO GaAs(100) AT GRAZING INCIDENCE, A.A. Dzhurakhalov, I.I. Khafizov, Institute of Electronics, 700143 Tashkent, Uzbekistan |
| C-II/P33 | MODEL OF DIRECTED CRYSTALLIZATION OF BINARY ALLOY, A.Gus'kov, Institute of Solid State Physics Academy of Sciences of Russia, Moscow District, Chernogolovka, 142432, Russia |
| C-II/P34 | A MODEL FOR SOLID-STATE DIFFUSION AND NON-EQUILIBRIUM PHASE FORMATION DURING MECHANICAL ALLOYING, B. B.Khina, Physicotechnical Institute, National Academy of Sciences, 10 Kuprevicha St., 220141 Minsk, Belarus, P.A.Vityaz, Presidium of the National Academy of Sciences, 66 F.Skorina Ave., 220072 Minsk, Belarus and A.A.Stefanovich, Institute of Powder Metallurgy, 41 Platonov St., 220600 Minsk, Belarus |
| C-II/P35 | MAGNETISM OF Fe FILMS EPITAXIALLY GROWN ON Co(001), A. Mokrani, O. Elmouhssine*, C. Demangeat*, EPSE, 2 Rue de la Houssinière, 44322 Nantes, France; *IPCMS, 23 Rue du Loess, 67037 Strasbourg Cedex 2, France |
Friday June 4, 1999 - Morning
Vendredi 4 juin 1999 Matin
Session VI – Magnetism (Electronic Structure)
| C-VI.1 | 9:00-9:30 | -Invited- | PERPENDICULAR MAGNETISM AND REORIENTATION TRANSITIONS, P. Weinberger, J. Zabloudil, C. Uiberacker and L. Szunyogh, Center for Computational Materials Science, Gumpendorferstr. 1a, 1060 Vienna, Austria |
| C-VI.2 | 9:30-9:45 | MAGNETIC STATE OF d - AND a -PLUTONIUM, A.V. Postnikov, Department of Physics, University of Osnabrück, 49069 Osnabrück, Germany; V.P.Antropov and B.N. Harmon, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa 50010, USA | |
| C-VI.3 | 9:45-10:00 | NON-COLLINEAR STRUCTURE OF Cr TRIMER ON THE SURFACE OF NON-MAGNETIC METALS, S.V. Uzdin*, V.M. Uzdin*,**, C. Demangeat** ; *St. Petersburg State University, 14 line V.O.,29, , 199178 St. Petersburg, Russia ; **IPCMS,23 rue du Loess, 67037 Strasbourg Cedex, France | |
| C-VI.4 | 10:00-10:15 | AB INITIO THEORY OF PERPENDICULAR TRANSPORT IN MAGNEIC MULTILAYERS, J. Kudrnovsky and V. Drchal, Institute of Physics ASCR, Prague, Czech Republic ; C. Blaas and P. Weinberger, Center for Materials Science, Vienna, Austria and P. Bruno, MPI für Mikrostrukturphysik, Halle, Germany | |
| C-VI.5 | 10:15-10:30 | HARTREE--FOCK STUDIES, OF CMR MANGANITE PEROVSKITES, M.D. Kuzmi, C.H. Patterson and M. Nicastro, Department of Physics, Trinity College, Dublin 2, Ireland | |
| 10:30-11:00 | BREAK |
Session VII - Micromagnetism
| C-VII.1 | 11:00-11:30 | -Invited- | THERMALLY ACTIVATED MAGNETISATION REVERSAL, R.W Chantrell, M. Wongsam SEECS, UW Bangor, Dean Street, Bangor, Gwynedd, UK ; O. Chubykalo, IBM Almaden Research Center, San Jose, USA |
| C-VII.2 | 11:30-11:45 | REVERSAL MODES AND REVERSAL TIMES IN SUBMICRON-SIZED ELEMENTS FOR MRAM APPLICATIONS, T. Schrefl and J. Fidler, Inst. of Applied and Technical Physics, Vienna University of Technology, Wiedner Hauptstraße 8-10, 1040 Vienna, Austria. | |
| C-VII.3 | 11:45-12:00 | DEVELOPMENT OF MAGNETORESISTIVE SHIELDED HEADS SIMULATION TECHNIQUES USING CONFORMAL MAPPING, Manuel A. V. Baptista(1), J. P. Ara?jo(1), J. B. Sousa(1), P. P. Freitas(2), 1)Departamento de FÌsica da Faculdade de CiÍncias do Porto e IFIMUP - Rua do Campo Alegre, 687 - 4150 Porto, Portugal, 2)Instituto Superior TÈcnico - Av. Rovisco Pais e INESC - Rua Alves Redol,9-1 - 1000 Lisboa, Portugal | |
| 12:00–13:30 | LUNCH |
Friday June 4, 1999 - Afternoon
Vendredi 4 juin 1999 Après-midi
Session VIII - Growth
| C-VIII.1 | 13:30-14:00 | -Invited- | SIMULATIONS OF COMPLEX MATERIALS PROPERTIES BY USING A DENSITY-FUNCTIONAL-THEORY DERIVED TIGHT-BINDING SCHEME, Th. Frauenheim, M. Elstner, G. Jungnickel, J. Elsner, R. Scholz, G. Seifert, Universität-GH Paderderborn, Fachbereich Physik, Theoretische Physik, 33098 Paderborn, Germany |
| C-VIII.2 | 14:00-14:15 | MULTISCALE MODELLING OF CVD DIAMOND GROWTH, I.I. Oleinik, D.G. Pettifor, A.P. Sutton, University of Oxford, C.C. Battaile, Sandia National Laboratories; C. Deo, D.J. Srolovitz, University of Michigan, D.S. Dandy, Colorado State University and J.E. Butler, Naval Research Laboratory | |
| C-VIII.3 | 14:15-14:30 | AN INVESTIGATION INTO THE LINKS BETWEEN ISLAND PATTERNS AND THE MECHANISMS OF THIN FILM DEPOSITION, D.A. Robbie and P.A. Mulheran, Department of Physics, University of Reading, Whiteknights, Reading RG6 6AF, UK | |
| C-VIII.4 | 14:30-14:45 | MOLECULAR DYNAMICS STUDIES RELATED TO SUBMONO- LAYER GROWTH ON Pt(111) SURFACES, E.P. Münger, V. Chirita, L. Hultman, Dept. of Physics, Linköping University, 581 83 Linköping, Sweden and J.E. Greene, Materials Science Dept. and the Materials Research Lab., University of Illinois, Urbana Illinois 61801, USA | |
| C-VIII.5 | 14:45-15:00 | STOCHASTIC NUCLEATION AND GROWTH OF ISLANDS ON SURFACES WITH THE THEORY OF NON-CLASSICAL NUCLEATION, George Petsos, Vassilios Vargiamidis, Department of Physics, Aristotle University, 54006, Thessaloniki, Greece | |
| C-VIII.6 | 15:00-15:15 | PHYSICS OF EPITAY AND c-BN FILMS OPTIMIZED GROWTH, P. Masri, M. Rouhani Laridjani, M. Cambon, P. Arcade, S. Chaar, J. Calas, M. Averous, Groupe d'Etude des Semiconducteurs, CNRS, UMR 5650, Univ. Montpellier 2, cc074, 12 Place E. Bataillon, 34095 Montpellier Cedex 5, France | |
| C-VIII.7 | 15:15-15:30 | Atomistic comparative study of VUV photoDeposited silicon nitride on InP(100) by simulation and atomic force microscopy, J. Flicstein, E. Guillonneau, J. Marquez***, L.S. How Kee Chun, D. Maisonneuve, C. David**, Zh.Zh. Wang**, J.F. Palmier, J.L. Courant***, France Telecom C.N.E.T.–DTD Laboratoire de Bagneux*, 196, ave. H. Ravera, 92225 Bagneux, France ; *C.N.R.S. URA 250,**C.N.R.S. L2M, Bagneux,***E.N.S.T. rue Barrault, Paris, France | |
| C-VIII.8 | 15:30-15:45 | EPITAXIAL INTERFACE FORMATION STUDY BY PROBABILITY-STATISTICAL AND MONTE CARLO COMUTER SIMULATION, Leonid N. Aleksandrov, Institute of Semiconductor Physics, Academy of Science of Russia, prospect Lavrentjeva, 13, 630090 Novosibirsk, Russia and Raisa V. Bochkova, Valentina I. Diakonova, Pedagogical Institute, 430000 Saransk, Russia | |
| 15:45-16:00 | BREAK |
Session IX – Novel Techniques
| C-IX.1 | 16:00-16:15 | NON-CONTACT ATOMIC FORCE MICROSCOPY THEORETICAL IMAGING OF NACL THIN FILMS ON CU SUBSTRATE, A.S. Foster, L. Kantorovich, A. Shluger and A. Livshits, Department of Physics and Astronomy, University College London, Gower Street, London,WC1E 6BT, England | |
| C-IX.2 | 16:15-16:30 | A NEW, ELECTRONIC STRUCTURE METHOD BASED ON FINITE DIFFERENCES, S. Benham, J.E. Inglesfield, Dept. of Physics and Astronomy, University of Wales-Cardiff, PO Box 913, CF2 3YB, Cardiff, UK and J.M. Thijssen, DIMES Laboratory, Technical University of Delft, PO Box 5053, 2600 GB Delft, The Netherlands | |
| C-IX.3 | 16:30-16:45 | MIXING ENERGIES OF BINARY ALLOYS INCLUDING 3d ELEMENTS, P. James, O. Eriksson, B.Johansson and I.A. Abrikosov, Condensed Matter Theory Group, Uppsala University, Box 530, 75121 Uppsala, Sweden | |
| C-IX.4 | 16:45-17:00 | ON ELECTRON DYNAMICS IN VIOLENT CLUSTER EXCITATIONS, P.G. Reinhard, Institute für Theoretische Physik, Universität Erlangen, Staudtstr. 7, 91058 Erlangen, Germany and E. Suraud, Laboratoire de Physique Quantique, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex, France | |
| C-IX.5 | 17:00-17:15 | MONTE CARLO RENORMALIZATION GROUP METHOD APPLIED TO THE STUDY OF POLYMER ADSORPTION ON FRACTAL BOUNDARIES, S. Milosevic, Faculty of Physics, University of Belgrade, P.O.Box 550, 11001 Belgrade, Serbia, Yugoslavia and I. Zivic, Faculty of Natural Sciences and Mathematics, University of Kragujevac, 34000 Kragujevac, Serbia, Yugoslavia | |
| C-IX.6 | 17:15-17:30 | ORIGIN OF DIFFUSE-SCATTERING ANOMALIES IN DISORDERED ALLOYS, I. Tsatskis, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, UK |
End of Symposium C
