Adsorbate-Induced Restructuring of the Fe(100) Surface: Model Cluster Studies

• Authors: W. Arabczyk , E. Rausche , F. Storbeck
• Languages of publication: EN

Abstracts

EN

The Extended Hückel Theory (EHT) has been used to calculate the energy of iron clusters, Fe_{13}, modelling an Fe(100) surface, as well as the energy of iron clusters with oxygen, Fe_{13}-O, nitrogen, Fe_{13}-N, or carbon atom, Fe_{13}-C, adsorbed on a reconstructed/non-reconstructed surface. In order to determine the relative positions of iron atoms and of the adsorbed atom a sphere model was employed assuming displacement of only one iron atom.

Keywords

EN

71.45.Nt; 68.45.Da; 68.55.Jk

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 1992
• Volume: 81
• Issue: 1
• Pages: 109-115

Dates

published

1992-01

received

1991-05-02

Contributors

author

W. Arabczyk

• Technical University of Szczecin, Institute of Chemical Technology, Pułaskiego 10, 70-322 Szczecin, Poland

author

E. Rausche

• Sektion Physik, Technische Universität Dresden, Mommsenstraße 13, O-8027 Dresden, Germany

author

F. Storbeck

• Sektion Physik, Technische Universität Dresden, Mommsenstraße 13, O-8027 Dresden, Germany

Identifiers

DOI

10.12693/APhysPolA.81.109