Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Substrate-Mediated Interaction on Ag(111) Surfaces from First Principles
Abstract When two or more atoms bind to a solid surface, the substrate can mediate an interaction between them. In this paper, we use density-functional theory to quantify the substrate-mediated pair interaction between two adatoms on a compressively strained Ag(111) surface and on unstrained Ag(111). On the strained surface, the elastic interaction is significant over the short range and leads to a net attraction between two adatoms. However, at the longest distances probed, the interaction is primarily electronic and repulsive. The repulsion can be as strong at 50 meV, and it forms a ring-like structure around an atom. On unstrained Ag(111), the interaction is primarily electronic in origin and it is weak relative to the interaction found on the strained surface. We calculate the energy barrier for an isolated atom to diffuse in each of these systems. For the strained surface, the magnitude of the diffusion barrier is comparable to that of the adsorbate interaction. We discuss the implications of our findings for growth at surfaces.
Substrate-Mediated Interaction on Ag(111) Surfaces from First Principles
Abstract When two or more atoms bind to a solid surface, the substrate can mediate an interaction between them. In this paper, we use density-functional theory to quantify the substrate-mediated pair interaction between two adatoms on a compressively strained Ag(111) surface and on unstrained Ag(111). On the strained surface, the elastic interaction is significant over the short range and leads to a net attraction between two adatoms. However, at the longest distances probed, the interaction is primarily electronic and repulsive. The repulsion can be as strong at 50 meV, and it forms a ring-like structure around an atom. On unstrained Ag(111), the interaction is primarily electronic in origin and it is weak relative to the interaction found on the strained surface. We calculate the energy barrier for an isolated atom to diffuse in each of these systems. For the strained surface, the magnitude of the diffusion barrier is comparable to that of the adsorbate interaction. We discuss the implications of our findings for growth at surfaces.
Substrate-Mediated Interaction on Ag(111) Surfaces from First Principles
Fichthorn, Kristen A. (Autor:in) / Scheffler, Matthias (Autor:in)
01.01.2001
12 pages
Aufsatz/Kapitel (Buch)
Elektronische Ressource
Englisch
First Principles Investigation of Interaction of Oxygen with Low Index Surfaces of gamma -TiAl
| British Library Online Contents | 2012
Modeling atomic force microscopy at LiNbO3 surfaces from first-principles
| British Library Online Contents | 2015
Modeling atomic force microscopy at LiNbO3 surfaces from first-principles
| British Library Online Contents | 2015
Physical properties of cubic SiC(001) surfaces from first-principles simulations
| British Library Online Contents | 2000
First principles study of halogens adsorption on intermetallic surfaces
| British Library Online Contents | 2016