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Artículo

Dimer adsorption on square surfaces with first- and second-neighbor interactions

Phares, A. J.; Pasinetti, Pedro MarceloIcon ; Grumbine Jr., D. W. ; Wunderlich, F.
Fecha de publicación: 03/2011
Editorial: Elsevier Science
Revista: Physica B: Condensed Matter
ISSN: 0921-4526
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Física de los Materiales Condensados

Resumen

Dimer adsorption on surfaces simulates the adsorption of particles that bind onto two nearest-neighbor sites. In 1993, we constructed a transfer matrix (T-matrix) for the study of dimers on stepped surfaces, consisting of M-sites wide square terraces, considering only first-neighbor interaction energies. Here, we consider a more realistic model by including both first- and second-neighbor interaction energies, V and W. The non-trivial construction of the T-matrix to include second-neighbor interactions is used to obtain the low-temperature energy phase diagrams of the dimer system for any M , when first-neighbors are attractive, and for values of M<7 when first-neighbors are repulsive. New crystallization patterns and phases are observed and extrapolated to infinite M. Monte Carlo simulation techniques confirm our T-matrix results, but the T-matrix method is found to be computationally more efficient and more precise. However, Monte Carlo parallel tempering simulations combined with finite-size scaling, while limited in precision, are more efficient to obtain the critical temperature of the various order–disorder transitions as a function of W/|V|, from the study of the heat capacity and the order parameter as functions of temperature. We also discuss the relevance of these results to experiments.
Palabras clave: Dimer , Adsorption , Square Lattice
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Atribución-NoComercial-SinDerivadas 2.5 Argentina (CC BY-NC-ND 2.5 AR)
Identificadores
URI: http://hdl.handle.net/11336/14086
DOI: http://dx.doi.org/10.1016/j.physb.2010.12.053
URL: http://www.sciencedirect.com/science/article/pii/S0921452610012330
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Articulos(INFAP)
Articulos de INST. DE FISICA APLICADA "DR. JORGE ANDRES ZGRABLICH"
Citación
Phares, A. J.; Pasinetti, Pedro Marcelo; Grumbine Jr., D. W. ; Wunderlich, F.; Dimer adsorption on square surfaces with first- and second-neighbor interactions; Elsevier Science; Physica B: Condensed Matter; 406; 5; 3-2011; 1096-1105
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