Structural and vibrational properties of two-dimensional MnxOy layers on Pd(100): Experiments and density functional theory calculations
- Author(s)
- Cesare Franchini, Raimund Podloucky, Francesco Allegretti, Fanghua Li, Georg Parteder, Svetlozar L. Surnev, Falko P. Netzer
- Abstract
Using different experimental techniques combined with density functional based theoretical methods we have explored the formation of interface-stabilized manganese oxide structures grown on Pd(100) at (sub)monolayer coverage. Among the multitude of phases experimentally observed we focus our attention on four structures which can be classified into two distinct regimes, characterized by different building blocks. Two oxygen-rich phases are described in terms of MnO(111)-like O-Mn-O trilayers, whereas the other two have a lower oxygen content and are based on a MnO(100)-like monolayer structure. The excellent agreement between calculated and experimental scanning tunneling microscopy images and vibrational electron-energy-loss spectra allows for a detailed atomic description of the explored models.
- Organisation(s)
- Computational Materials Physics, Department of Physical Chemistry
- External organisation(s)
- Karl-Franzens-Universität Graz
- Journal
- Physical Review B
- Volume
- 79
- No. of pages
- 12
- ISSN
- 1098-0121
- DOI
- https://doi.org/10.1103/PhysRevB.79.035420
- Publication date
- 2009
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104017 Physical chemistry, 103018 Materials physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/f3f29920-90ee-4998-96ad-81fc303e3491