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Abstract:

A straightforward modeling approach, using the Bozzolo-Ferrante-Smith (BFS) method for alloys, is introduced and applied to the formation process of Pd/Cu(100) surface alloys. Ranging from the deposition of one single Pd atom to the formation of a c(2 × 2) structure, the proposed methodology helps explain all the experimentally observed features for coverages of up to 0.5 ML. In excellent agreement with all the known experimental facts, the approach sheds light onto the exchange mechanism between adatoms and substrate atoms, interdiffusion to subsurface layers, the formation of ordered structures and Cu islands and the c(2 × 2) structure at 0.5 ML Pd coverage.

Registro:

Documento: Artículo
Título:Atomistic modeling of Pd/Cu(100) surface alloy formation
Autor:Garcés, J.E.; Mosca, H.O.; Bozzolo, G.H.
Ciudad:Amsterdam
Filiación:Centro Atómico Bariloche, Comn. Nac. de Ener. Atomica, 8400, Bariloche, Argentina
Comn. Nac. de Ener. Atómica, 1429 Buenos Aires, Argentina
Departamento de Física, Fac. Cie. Exact. Y Nat., Univ. B., 1428 Buenos Aires, Argentina
Ohio Aerospace Institute, 22800 Cedar Point Rd., Cleveland, OH 44142, United States
Natl. Aero. and Space Administration, Glenn Research Center, Cleveland, OH 44135, United States
Palabras clave:Computer simulation; Copper; Deposition; Mathematical models; Morphology; Surface roughness; Surface structure; Low index single crystal surfaces; Surface defects; Palladium alloys
Año:2000
Volumen:459
Número:3
Página de inicio:365
Página de fin:389
DOI: http://dx.doi.org/10.1016/S0039-6028(00)00473-8
Título revista:Surface Science
Título revista abreviado:Surf Sci
ISSN:00396028
CODEN:SUSCA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00396028_v459_n3_p365_Garces

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Citas:

---------- APA ----------
Garcés, J.E., Mosca, H.O. & Bozzolo, G.H. (2000) . Atomistic modeling of Pd/Cu(100) surface alloy formation. Surface Science, 459(3), 365-389.
http://dx.doi.org/10.1016/S0039-6028(00)00473-8
---------- CHICAGO ----------
Garcés, J.E., Mosca, H.O., Bozzolo, G.H. "Atomistic modeling of Pd/Cu(100) surface alloy formation" . Surface Science 459, no. 3 (2000) : 365-389.
http://dx.doi.org/10.1016/S0039-6028(00)00473-8
---------- MLA ----------
Garcés, J.E., Mosca, H.O., Bozzolo, G.H. "Atomistic modeling of Pd/Cu(100) surface alloy formation" . Surface Science, vol. 459, no. 3, 2000, pp. 365-389.
http://dx.doi.org/10.1016/S0039-6028(00)00473-8
---------- VANCOUVER ----------
Garcés, J.E., Mosca, H.O., Bozzolo, G.H. Atomistic modeling of Pd/Cu(100) surface alloy formation. Surf Sci. 2000;459(3):365-389.
http://dx.doi.org/10.1016/S0039-6028(00)00473-8