In the present Letter the first electron paramagnetic resonance spectra of single metal atoms on a single crystalline oxide surface are presented. For Au atoms on a MgO(001) film investigated here an analysis of the angular dependent resonance positions and the hyperfine coupling to O-17 shows that the atoms are bound on top of oxygen ions on the terrace of the film. This result is in perfect agreement with scanning tunneling microscopy measurements at 5 K presented here. The measured hyperfine matrix components allow an experimental verification of the theoretically proposed binding mechanism of Au atoms on MgO. In particular, the large reduction of the isotropic hyperfine coupling constant of supported Au as compared to free atoms is not due to a charge transfer at the interface but a hybridization of orbitals and a resulting polarization of the unpaired electron.

Yulikov, M., Sterrer, M., Heyde, M., Rust, H., Risse, T., Freund, H., et al. (2006). Binding of single gold atoms on thin MgO(001) films. PHYSICAL REVIEW LETTERS, 96(14) [10.1103/PhysRevLett.96.146804].

Binding of single gold atoms on thin MgO(001) films

PACCHIONI, GIANFRANCO;
2006

Abstract

In the present Letter the first electron paramagnetic resonance spectra of single metal atoms on a single crystalline oxide surface are presented. For Au atoms on a MgO(001) film investigated here an analysis of the angular dependent resonance positions and the hyperfine coupling to O-17 shows that the atoms are bound on top of oxygen ions on the terrace of the film. This result is in perfect agreement with scanning tunneling microscopy measurements at 5 K presented here. The measured hyperfine matrix components allow an experimental verification of the theoretically proposed binding mechanism of Au atoms on MgO. In particular, the large reduction of the isotropic hyperfine coupling constant of supported Au as compared to free atoms is not due to a charge transfer at the interface but a hybridization of orbitals and a resulting polarization of the unpaired electron.
Articolo in rivista - Articolo scientifico
oxide surfaces, DFT
English
2006
96
14
146804
none
Yulikov, M., Sterrer, M., Heyde, M., Rust, H., Risse, T., Freund, H., et al. (2006). Binding of single gold atoms on thin MgO(001) films. PHYSICAL REVIEW LETTERS, 96(14) [10.1103/PhysRevLett.96.146804].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/45261
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