AVS 50th International Symposium
    Surface Science Thursday Sessions
       Session SS1-ThM

Paper SS1-ThM8
Atomistic Modeling of Morphological Evolution During Active and Passive Oxidation of Si(100)

Thursday, November 6, 2003, 10:40 am, Room 310

Session: Patterned Growth and Etching of Semiconductors
Presenter: M.A. Albao, Iowa State University
Authors: M.A. Albao, Iowa State University
D.-J. Liu, Iowa State University
C.H. Choi, Kyungpook National University, South Korea
M.S. Gordon, Iowa State University
J.W. Evans, Iowa State University
Correspondent: Click to Email
Prolonged exposure of Si(100) surfaces to oxygen produces: etching at high temperatures (T) characterized by the formation of monolayer-deep elliptical etch pits in successive layers (active oxidation); simultaneous etching and formation of oxide-capped Si-nanoprotrusions at moderate T (transition regime); and coverage of the substrate by an oxide layer at low T (passive oxidation). We develop a simple atomistic model with the goal of describing evolution of the complex far-from-equilibrium surface morphology for a broad range of temperatures across the transition regime. Model development is guided by experimental observations, by general concepts from nucleation theory for the formation of etch pits and oxide islands, and by input from ab-initio quantum chemistry (e.g., indicating different SiO desorption barriers for perfect and defective surfaces).