par McEwen, Jean-Sabin 
;Payne, Stephen;Stampfl, Cathy
Référence Chemical physics letters, 361, 3-4, page (317-320)
Publication Publié, 2002-07-20
;Payne, Stephen;Stampfl, CathyRéférence Chemical physics letters, 361, 3-4, page (317-320)
Publication Publié, 2002-07-20
Article révisé par les pairs
| Résumé : | The lattice gas model with hcp and fcc sites is used to study the O/Ru(0 0 0 1) adsorbate system. With interactions obtained from density functional theory its phase diagram is calculated using Monte Carlo simulations. Good qualitative agreement is obtained between experiment and theory; better quantitative agreement occurs if the interactions are scaled by a factor of 3/4. A (sqrt(3)xsqrt(3))*R30 structure at a coverage of 2/3 ML is predicted. |
