| This session will address problems arising in electronic materials processing using molecular modeling tools such as quantum mechanical density functional theory calculations, molecular-dynamics simulations, and kinetic Monte Carlo simulations. Materials systems of interest include bulk, thin-film, and nanonstructured forms of crystalline and amorphous semiconductors, conductors, and insulators, which are used in various microelectronic, optoelectronic, and photovoltaic technologies. |
Mechanisms for Interstitial-Mediated Transient Enhanced Diffusion of Arsenic and Phosphorus Dopants
Scott A. Harrison, Thomas F. Edgar and Gyeong S. Hwang, Dept. of Chem. Eng.,The University of Texas at Austin, 1 University Station Stop C0400, Austin, TX 78712 |
An Investigation into Gallium Arsenide Thin Film Growth: Molecular Dynamics Simulation
Maria H. Mignogna1, Kristen A. Fichthorn1, Thomas Hammerschmidt2, Peter Kratzer2 and Matthias Scheffler2, (1)Dept. of Chemical Engineering, Pennsylvania State University, University Park, PA 16802, (2)Theory Department, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14 195, Berlin-Dahlem, Germany |
Ab Initio Simulations of Surface Chemistry for Thin Film Growth of Electronic Materials
Charles B. Musgrave, Stanford University, Dept. of Chemical Engineering, Stanford, CA 94305-5025 |
A Computational Microscopy Study of Self-Interstitial Aggregation in Ion-Irradiated Silicon
Sumeet Kapur, Univ. of Pennsylvania, 220 S. 33rd St., Philadelphia, PA 19104 and Talid R. Sinno, Department of Chemical and Biomolecular Engineering, University of Pennsylvania, 311A Towne Building, 220 South 33rd Street, Philadelphia, PA 19104-6393 |
Analysis of Misfit Dislocation Formation and Strain Relaxation in Si1-XGeX Thin Films on Si (100) Substrates
Kedarnath Kolluri, Department of Chemical Engineering, University of Massachusetts, 159, Goessmann Laboratory, Amherst, MA 01003 and Dimitrios Maroudas, University of Massachusetts, Department of Chemical Engineering, Amherst, MA 01003 |
Kinetic Monte Carlo Simulations of Void Morphological Evolution in Silicon in the Presence of Oxygen
Jianguo Dai, Chemical and Biomolecular Engineering, University of Pennsylvania, Philadelphia, PA 19104, Warren D. Seider, University of Pennsylvania, Department of Chemical and Biomolecular Engineering, Philadelphia, PA 19104/6393 and Talid R. Sinno, University of Pennsylvania, 311A Towne Building, 220 South 33rd Street, Philadelphia, PA 19104-6393 |
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