INVESTIGADORES
BELARDINELLI rolando elio
artículos
Título:
Study of the adsorption of interacting dimers on square lattices by using a cluster-exact approximation
Autor/es:
BELARDINELLI R. E.; MANZI S.; RAMIREZ PASTOR A. J.; PEREYRA V. D.
Revista:
SURFACE SCIENCE
Editorial:
Elsevier B.V.
Referencias:
Año: 2003 vol. 540 p. 207 - 214
ISSN:
0039-6028
Resumen:
A theoretical approach, based on exact calculation of the partition function on finite rectangular clusters, is introduced
to study the adsorption of interacting homonuclear dimers on square lattices. An efficient algorithm allows us
to calculate the detailed structure of the configuration space for m ¼ ðk lÞ clusters with m varying from 8 to 48. The
adsorption process has been monitored by following thermodynamic properties such as coverage versus chemical
potential, internal energy and specific heat of the adlayer, etc. The analytical results are compared with those in [Surf.
Sci. 411 (1998) 294], which were obtained by using Monte Carlo simulation and finite-size scaling techniques. The
theoretical adsorption isotherms and phase diagrams (critical temperature versus coverage) for both attractive and
repulsive lateral interactions are in good qualitative agreement with the computational data. This agreement between
simulated and theoretical results supports the validity of the cluster-exact approximation proposed in this paper.