INTEC   05402
INSTITUTO DE DESARROLLO TECNOLOGICO PARA LA INDUSTRIA QUIMICA
Unidad Ejecutora - UE
artículos
Título:
Atomic jumps during surface diffusion.
Autor/es:
J.FERRÓN; R. MIRANDA; J.J.DEMIGUEL
Revista:
PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS
Editorial:
American Physical society
Referencias:
Lugar: New York; Año: 2009 vol. 79 p. 2454071 - 2454079
ISSN:
0163-1829
Resumen:
&amp;amp;amp;lt;!-- /* Style Definitions */ p.MsoNormal, li.MsoNormal, div.MsoNormal {mso-style-parent:""; margin:0cm; margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:12.0pt; font-family:"Times New Roman"; mso-fareast-font-family:"Times New Roman";} @page Section1 {size:612.0pt 792.0pt; margin:72.0pt 90.0pt 72.0pt 90.0pt; mso-header-margin:36.0pt; mso-footer-margin:36.0pt; mso-paper-source:0;} div.Section1 {page:Section1;} --&amp;amp;amp;gt; <!-- /* Style Definitions */ p.MsoNormal, li.MsoNormal, div.MsoNormal {mso-style-parent:""; margin:0cm; margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:12.0pt; font-family:"Times New Roman"; mso-fareast-font-family:"Times New Roman"; mso-ansi-language:ES; mso-fareast-language:ES;} @page Section1 {size:612.0pt 792.0pt; margin:70.85pt 3.0cm 70.85pt 3.0cm; mso-header-margin:35.4pt; mso-footer-margin:35.4pt; mso-paper-source:0;} div.Section1 {page:Section1;} --> The characteristics of atomic displacements during surface diffusion of  Cu on Cu(111) are studied by means of Molecular Dynamics simulations. It is found that even at very low substrate temperatures, the majority of the jumps are correlated, i.e., the displacement directions are not randomly chosen but rather keep some sort of memory from the previous moves and are influenced by them. Long jumps, spanning several surface unit cells, are observed at all temperatures. From an analysis of their length probability distribution information can be obtained about the mechanisms of friction and energy transfer between the diffusing adatom and the substrate. Both long jumps and recrossings (displacements in which the adatom moves back and forth between two adjacent adsorption sites) appear with a higher activation energy than normal diffusion. Finally, the influence of the instantaneous atomic configuration of the substrate on the adatom´s trajectory suggests the possibility of chaotic behavior in surface atomic diffusion.