Finite-size scaling study of a lattice-gas model for oxygen chemisorbed on tungsten

P. A. Rikvold*, K. Kaski, J. D. Gunton, M. C. Yalabik

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

73 Citations (Scopus)

Abstract

We present a finite-size scaling study of a centered rectangular lattice-gas model with attractive nearest-neighbor interactions and repulsive second- and third-neighbor and three-particle interactions, as well as attractive fifth-neighbor interactions. This has been proposed as a model for atomic oxygen adsorbed on a (110) surface of tungsten. The ordered phases are a (2×1) phase with coverage 12 and a (2×2) phase with coverage 34. We obtain phase diagrams which are in good qualitative agreement with the available experimental information. This agreement is obtained with considerably weaker attractive fifth-neighbor interactions than previously suggested by ground-state and Monte Carlo calculations, but consistent with the results of quantum-mechanical band calculations. In particular, we find a multicritical point below which the low-coverage (2×1)-to-disorder transition is of first order. We also find indications of a previously undetected low-temperature multicritical point below which the high-coverage (2×2)-to-disorder transition may be of first order. The finite-size effects in this study are considerably stronger than in previous studies of simpler lattice-gas models. This limits the accuracy with which we can determine the multicritical temperatures. It also prevents us from obtaining reliable estimates of the nonuniversal critical exponents for this model.

Original languageEnglish
Pages (from-to)6285-6294
Number of pages10
JournalPhysical Review B
Volume29
Issue number11
DOIs
Publication statusPublished - 1984
MoE publication typeA1 Journal article-refereed

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