Monte Carlo study of linear chain submonolayer structures. Application to Li/W(112)

• DOI: 10.1016/j.susc.2003.08.020
• Publication Date: 2003-09-12T02:25:46Z
• Authors: Czesław Oleksy
• Keywords: Condensed Matter - Materials Science; Statistical Mechanics (cond-mat.stat-mech); 0103 physical sciences; Materials Science (cond-mat.mtrl-sci); FOS: Physical sciences; 02 engineering and technology; 0210 nano-technology; 01 natural sciences; Condensed Matter - Statistical Mechanics

7 pages, 7 figures, REVTeX<br/>The lattice gas model for adsorption of alkaline elements on W(112) surface is studied by Monte Carlo simulations. The model includes dipole--dipole interaction as well as long-range indirect interaction. The numerical results show that truncation of the indirect interaction even at 200$��$ may change a phase diagram, i.e., new phases containing domain walls might occur. It is demonstrated that a defected phase can exist at high temperatures even if it is not stable at T=0. The phase diagram for Li/W(112) is constructed and long periodic chain structures (9*1), (6*1), (4*1), (3*1), and (2*1) are found to be stable at low temperatures. Role of thermal fluctuation is discussed by comparison of Monte Carlo results with mean field approximation results.<br/>