Incomplete melting of the Si(100) surface from molecular-dynamics simulations using the Effective-Medium Tight-Binding model
Condensed Matter
2007-05-23 v1
Abstract
We present molecular-dynamics simulations of the Si(100) surface in the temperature range 1100-1750K. To describe the total energy and forces we use the Effective-Medium Tight-Binding model. The defect-free surface is found to melt at the bulk melting point, which we determine to be 1650 K, but for a surface with dimer vacancies we find a pre-melting of the first two layers 100 K below the melting point. We show that these findings can rationalize recent experimental studies of the high temperature Si(100) surface.
Cite
@article{arxiv.cond-mat/9604012,
title = {Incomplete melting of the Si(100) surface from molecular-dynamics simulations using the Effective-Medium Tight-Binding model},
author = {K. Stokbro K. W. Jacobsen and J. K. Nørskov and D. M. Deaven and C. Z. Wang and K. M. Ho},
journal= {arXiv preprint arXiv:cond-mat/9604012},
year = {2007}
}
Comments
13 pages, 7 figures; To appear in Surface Science