A Monte Carlo study of surface diffusion coefficients in the presence of adsorbate-adsorbate interactions. III: Repulsive nearest-neighbor and attractive next-nearest-neighbor interactions
Tracer, jump, and chemical diffusion coefficients D*, Dj, and D, respectively, were determined on a 50×50 square array of fixed sites by the fluctuation and Kubo–Green methods for the case of nearest-neighbor repulsions and numerically equal next-nearest-neighbor attractions. Both methods give the s...
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Veröffentlicht in: | The Journal of chemical physics 1991-11, Vol.95 (10), p.7641-7647 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | Tracer, jump, and chemical diffusion coefficients D*, Dj, and D, respectively, were determined on a 50×50 square array of fixed sites by the fluctuation and Kubo–Green methods for the case of nearest-neighbor repulsions and numerically equal next-nearest-neighbor attractions. Both methods give the same D values except at θ=0.5 and T/Tc |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.461817 |