Modelling of SubPc Self-Assembly on Ag(111) |
| V. Petrauskasa, E.E. Tornaua and S. Lapinskasb
aSemiconductor Physics Institute, 2600 Goštauto 11, Vilnius, Lithuania bFaculty of Physics, Vilnius University, 2054 Saulėtekio 9, Vilnius, Lithuania |
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| Received: 22 08 2004; |
| The ordering of subphthalocyanine molecules into honeycomb and hexagonal close packed patterns on Ag(111) is described using complex Lennard-Jones-type intermolecular potential. We rescale Ag(111) lattice, and take into account an infinite exclusion of first, second, and third neighbours, attraction - of fourth and fifth, and repulsion - of sixth and seventh. The phase diagram is obtained by the lattice gas model using Monte Carlo simulations. Very strong first order phase transitions, causing the two-phase co-existence, are found between disordered and honeycomb as well as between disordered and hexagonal closed packed phases. |
| DOI: 10.12693/APhysPolA.107.388 PACS numbers:64.60.Cn, 68.43.Hn, 79.60.Dp, 81.07.Nb |