Journal
SURFACE SCIENCE
Volume 602, Issue 14, Pages 2440-2447Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2008.05.033
Keywords
density functional calculations; soft X-ray photoelectron spectroscopy; low-energy electron diffraction (LEED); scanning tunneling microscopy; surface stress; palladium; oxygen; low index single crystal surfaces
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Funding
- Swedish Research Council
- Crafoord Foundation
- Knut and Alice Wallenberg foundation
- Forderung der wissenschaftli-chen Forschung (FWF)
- European Commission [NMP3-Cr-2003-505670]
- Rubicon
- MAX-lab
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We have investigated the oxygen induced structures of the Pd(1 1 0) surface in the pressure range of 10(-5)-10(-3) mbar of oxygen, at a sample temperature of around 300 degrees C. These structures, denoted as (7 x root 3) and (9 x root 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 [1 (1) over bar0] 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. (C) 2008 Elsevier B.V. All rights reserved.
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