Model potential for the dimer system on the Si(001) surface improved by a first-principles calculation and structural fluctuation studied by a Monte Carlo simulation

Hiroshi Kawai, Ryo Miyata, Yoshihide Yoshimoto, Masaru Tsukada

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The improved model potential of the dimer system on Si(001) surface is obtained based on the results of the first-principles calculation (FPC). The transition rates of the dimer flip-flop motion are obtained from the model potential. The time-resolving dynamical Monte Carlo simulations (TDMCS) on Si(001) surface at 70 K for the orientational arrangement are performed. The time series of the time-averaged local order parameter for c(4 × 2) structure are calculated from the results of TDMCS. The time series are shown to reproduce well the results of time-resolving constant-height current mode STM observed at 70 K. The improved model potential is confirmed to be well effective.

Original languageEnglish
Pages (from-to)3158-3163
Number of pages6
Journaljournal of the physical society of japan
Volume72
Issue number12
DOIs
Publication statusPublished - Dec 1 2003

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dimers
simulation
flip-flops

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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Model potential for the dimer system on the Si(001) surface improved by a first-principles calculation and structural fluctuation studied by a Monte Carlo simulation. / Kawai, Hiroshi; Miyata, Ryo; Yoshimoto, Yoshihide; Tsukada, Masaru.

In: journal of the physical society of japan, Vol. 72, No. 12, 01.12.2003, p. 3158-3163.

Research output: Contribution to journalArticle

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