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Title: Theory and simulation of epitaxial rotation: Light particles adsorbed on graphite
Author: Vives i Santa-Eulàlia, Eduard
Lindgård, Per-Anker
Keywords: Transformacions de fase (Física estadística)
Fenòmens crítics (Física)
Mètode de Montecarlo
Phase transformations (Statistical physics)
Critical phenomena (Physics)
Monte Carlo method
Issue Date: 1993
Publisher: The American Physical Society
Abstract: We present a theory and Monte Carlo simulations of adsorbed particles on a corrugated substrate. We have focused on the case of rare gases and light molecules, H 2 and D 2 , adsorbed on graphite. The competition between the particle-particle and particle-substrate interactions gives rise to frustration phenomena. From our model predictions for the epitaxial rotation angle of the adsorbed phases are determined. Our results extend and unify previously known descriptions. We have studied as a function of temperature and coverage the phase diagrams, especially the intermediate phases appearing between the commensurate and incommensurate phase for the adsorbed systems. From our simulations and our theory, we are able to understand the γ phase of D 2 as an ordered phase stabilized by disorder. It can be described as a 2q-modulated structure. In agreement with the experiments, we have also found a modulated 4×4 structure. Energy, structure-factor intensities, peak positions, and epitaxial rotation angles as a function of temperature and coverage have been determined from the simulations. Good agreement with theory and experimental data is found.
Note: Reproducció digital del document publicat en format paper, proporcionada per PROLA i
It is part of: Physical Review B, 1993, vol. 47, núm. 12, p. 7431-7445.
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ISSN: 0163-1829
Appears in Collections:Articles publicats en revistes (Física Quàntica i Astrofísica)

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