Pairing and Clustering of Hydrogen on Si(100)2x1: Monte Carlo Studies.
Abstract
We consider a generalization of the doubly-occupied dimer model we proposed recently to explain the near-first-order desorption kinetics of H2 from Si(100)2xl, incorporating effective nearest-neighbor interactions between paired hydrogen atoms on adjacent dimers. We have performed Monte Carlo simulations of the generalized model, and compare the pairing and cluster-size distributions with those observed recently by scanning tunneling microscopy (STM). The agreement is reasonable but the cluster size distributions differ in shape, which we suggest is due to the nonthermal nature of the distributions observed by STM and/or inadequacies in the use of nearest-neighbor interactions to represent the physics of clustering. Implications of the results for the underlying physical interactions responsible for ordering of hydrogen on Si(100) and for the desorption kinetics are discussed.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 11, 1992
- Accession Number
- ADA258537
Entities
People
- Mark P. D'evelyn
- Yuemei L. Yang
Organizations
- Rice University