# Incomplete melting of the Si(100) surface from molecular-dynamics simulations using the Effective-Medium Tight-Binding model

Source: [Incomplete melting of the Si(100) surface from molecular-dynamics simulations using the Effective-Medium Tight-Binding model](<https://www.sota2.com/research/paper/68fa20137a2b558e2932e83c>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-23T20:48:04.392Z

Authors: K. Stokbro K. W. Jacobsen, J. K. N{\\o}rskov, D. M. Deaven, C. Z. Wang, K. M. Ho

Published: 1996-04-02T08:45:12.000Z

## 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.

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/cond-mat/9604012>)

[PDF](<https://arxiv.org/pdf/cond-mat/9604012.pdf>)