Monte Carlo simulation of temperature dependence of X-ray diffraction intensity of Ge(0 0 1) surface with defects

Yoshimichi Nakamura, Hiroshi Kawai, Yoshihide Yoshimoto, Masaru Tsukada

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We perform Monte Carlo simulations (MCS) to study the influence of surface defects on the order-disorder phase transition of Ge(0 0 1) surface. Coupling constants among the buckling of the dimers given by the recent first-principles calculations are used in the MCS. The feature of the phase transition is remarkably changed by a low density of defect. The magnitude of the long-range order parameter is much reduced at low temperatures as compared to the defect-free system. The temperature dependence of the X-ray diffraction intensity for the quarter-order spot specific to the c(4 × 2) structure becomes broad. The influence of defects on the formations of local domains of Ge(0 0 1) is well understood by analogy with that of Si(0 0 1). The experimental temperature dependence of the X-ray diffraction intensity is well reproduced by the present MCS.

Original languageEnglish
Pages (from-to)361-365
Number of pages5
JournalSurface Science
Volume493
Issue number1-3
DOIs
Publication statusPublished - Nov 1 2001

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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