Hybrid Monte Carlo-molecular dynamics algorithm for the study of islands and step edges on semiconductor surfaces: Application to Si/Si(001)

Research output: Contribution to journalArticleScientificpeer-review


  • Francesca Tavazza
  • L. Nurminen
  • David P. Landau
  • Antti Kuronen
  • Kimmo Kaski

Research units

  • The University of Georgia
  • Helsinki University of Technology


A classical, hybrid Monte Carlo-molecular dynamic (MC-MD) algorithm for the study of phenomena like two-dimensional (2D) island stability or step-edge evolution on semiconductor surfaces is introduced. The advantages of working off lattice and utilizing bulk-fitted potentials are also presented. It is based on the introduction of collective moves in the MC algorithm. The algorithm is used in the analysis of 2D Si islands on Si(001). The results on early stages of island stability, island formation versus system size and temperature and step-edge evolution are presented.


Original languageEnglish
Article number036701
Pages (from-to)036701
Number of pages8
JournalPhysical Review E
Issue number3 Part 2
Publication statusPublished - 2004
MoE publication typeA1 Journal article-refereed

ID: 10211473