Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/140508
Title: | Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S |
Author: | Torres, D. Carro, P. Salvarezza, R. C. Illas i Riera, Francesc |
Keywords: | Termodinàmica Estructura atòmica Thermodynamics Atomic structure |
Issue Date: | 30-Nov-2006 |
Publisher: | American Physical Society |
Abstract: | The atomic structure and thermodynamic stability of Ag ( 111 ) ( √ 7 × √ 7 ) − R 19.1 ° − CH 3 S has been studied by means of density functional calculations and atomistic first principles thermodynamics. The unreconstructed model and two recently proposed reconstructions have been considered. It is found that, in spite of significant differences in the atomic structure, the different surface models have a very similar surface free energy. It is claimed that the different ordered phases can coexist and that the appearance of one or another depends on the external preparation conditions. |
Note: | Reproducció del document publicat a: https://doi.org/10.1103/PhysRevLett.97.226103 |
It is part of: | Physical Review Letters, 2006, vol. 97, num. 22, p. 226103 |
URI: | http://hdl.handle.net/2445/140508 |
Related resource: | https://doi.org/10.1103/PhysRevLett.97.226103 |
ISSN: | 0031-9007 |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
548881.pdf | 275 kB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.