Molecular dynamics simulation of the structure and melting transition of the Si(001) surface

J. Lampinen, R. M. Nieminen, Kimmo Kaski

Research output: Contribution to journalArticleScientificpeer-review

20 Citations (Scopus)

Abstract

We have studied the structure and melting transition of the Si(001) surface using the molecular dynamics simulation technique together with the Stillinger-Weber model potential. The structure of the simulated surface is of the dimerized (2×1) symmetry and the surface contains spontaneous defects. The dimers are symmetric and neither buckled nor twisted. The results are compared to scanning tunneling microscope (STM) experiments. The surface induced melting starts below the bulk melting point of the sample and is found to proceed by surface roughening along the direction of highest packing density.
Original languageEnglish
Pages (from-to)101-112
JournalSurface Science
Volume200
Issue number1
DOIs
Publication statusPublished - 1988
MoE publication typeA1 Journal article-refereed

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