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

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

    Research output: Contribution to journalArticleScientificpeer-review

    9 Citations (Scopus)

    Abstract

    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
    Volume70
    Issue number3 Part 2
    DOIs
    Publication statusPublished - 2004
    MoE publication typeA1 Journal article-refereed

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