Structural and vibrational properties of two-dimensional MnxOy layers on Pd(100): Experiments and density functional theory calculations

Autor(en)

Cesare Franchini, Raimund Podloucky, Francesco Allegretti, Fanghua Li, Georg Parteder, Svetlozar L. Surnev, Falko P. Netzer

Abstrakt

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(en)

Computergestützte Materialphysik, Institut für Physikalische Chemie

Externe Organisation(en)

Karl-Franzens-Universität Graz

Journal

Physical Review B

Band

79

Anzahl der Seiten

12

ISSN

1098-0121

DOI

https://doi.org/10.1103/PhysRevB.79.035420

Publikationsdatum

2009

Peer-reviewed

Ja

ÖFOS 2012

104017 Physikalische Chemie, 103018 Materialphysik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/f3f29920-90ee-4998-96ad-81fc303e3491