AVS 52nd International Symposium
    Surface Science Thursday Sessions
       Session SS2-ThM

Paper SS2-ThM1
Dissociative Chemisorption of SiH@sub 4@ on Si(100): Threshold Energy and Mechanism

Thursday, November 3, 2005, 8:20 am, Room 202

Session: Functionalization of Semiconductor Surfaces
Presenter: H.L. Abbott, University of Virginia
Authors: H.L. Abbott, University of Virginia
D.F. Kavulak, University of California, Berkeley
I. Harrison, University of Virginia
Correspondent: Click to Email
A three-parameter local hot spot model of gas-surface reactivity is employed to analyze and predict dissociative sticking coefficients for SiH@sub 4@ incident on Si(100) under varied nonequilibrium conditions. Two Si surface oscillators and the molecular vibrations, rotations, and translational energy directed along the local surface normal are active degrees of freedom in the 15 dimensional microcanonical kinetics. The threshold energy for SiH@sub 4@ dissociative chemisorption is found to be 19 kJ/mol, in quantitative agreement with recent GGA-DFT calculations that predict an intra-dimer mechanism. A simple scheme for increasing the rate of chemical vapor deposition of silicon from SiH@sub 4@ at low surface temperatures and/or on hydrogen passivated Si(100) is discussed.