Stressing Pd atoms: Initial oxidation of the Pd(1 1 0) surface
- Author(s)
- Rasmus Westerström, Cornelis J. Weststrate, Andrea Resta, Anders Mikkelsen, J. Schnadt, Jesper N. Andersen, Edvin Lundgren, Michael A. Schmid, Nicola Seriani, Judith Harl, Florian Mittendorfer, Georg Kresse
- Abstract
We have investigated the oxygen induced structures of the Pd(110) surface in the pressure range of 10-5–10-3 mbar of oxygen, at a sample temperature of around 300°C. These structures, denoted as “(7×√3)” and “(9×√3)”, are studied in detail by the use of a combination of low-energy electron diffraction, scanning tunneling microscopy, high-resolution core level spectroscopy, and ab-initio simulations. Based on our data a model is proposed for these structures containing segments of Pd atoms in the [11¯0] direction, in which the Pd rows are decorated by O atoms in a zig-zag pattern. The segments are periodically separated by displaced Pd atoms. Density functional theory calculations show that the displacements reduce the oxygen induced stress significantly, as compared to a structure with no displacements. The calculations also suggest that the new structures are stabilized by domain formation.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Lund University, Technische Universität Wien
- Journal
- Surface Science
- Volume
- 602
- Pages
- 2440-2447
- No. of pages
- 8
- ISSN
- 0039-6028
- DOI
- https://doi.org/10.1016/j.susc.2008.05.033
- Publication date
- 2008
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103015 Condensed matter
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/stressing-pd-atoms-initial-oxidation-of-the-pd1-1-0-surface(e51a8ef8-fb9c-47f6-ad52-81fde4e29e3c).html