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Phase diagram of the fcc(1 1 0) surfaces with adsorbate-induced missing-row reconstructions
Authors:Min Kang   Keichi Yasutani  Makoto Kaburagi  
Affiliation:

a Faculty of Cross-Cultural Studies, Kobe University, 1-2-1 Tsurukabuto, Nada, Kobe 657-8501, Japan

b Graduate School of Science and Technology, Kobe University, Kobe 657-8501, Japan

Abstract:The phase diagram of the fcc(1 1 0) surfaces with missing-row reconstructions induced by adatoms, is calculated by use of the Blume–Emmery–Griffiths model. In the model, we introduce adatom–adatom interactions to determine surface structures and dipole–dipole interactions to describe the effect of zigzag adsorption. The interactions between nearest-neighbor (NN) and next-nearest-neighbor (NNN) rows are considered. The calculation of the temperature versus adatom chemical potential phase diagram is performed using mean-field approximation. It is indicated that if NN and NNN interactions are competitive, there appear either dipole or coverage modulated (incommensurate) phases at high temperatures for a wide range of the interactions.
Keywords:Semi-empirical models and model calculations   Computer simulations   Surface thermodynamics (including phase transitions)   Surface relaxation and reconstruction   Adsorption kinetics   Adatoms
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