Exchange splitting in electronic states of single atoms and magnetic coupling in single dimers and trimers on a surface Mats Persson (1), Hyo-June Lee.

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Presentation transcript:

Exchange splitting in electronic states of single atoms and magnetic coupling in single dimers and trimers on a surface Mats Persson (1), Hyo-June Lee (2), and Wilson Ho (2) ( 1) Dept. of Applied Physics, Chalmers/Göteborg University, SWEDEN (2) Dept. of Physics and Astronomy and Dept. of Chemistry, University of California, Irvine, USA

Outline Non-magnetic Au atom and dimer on NiAl(110) surface Magnetic Co, Fe, Mn atoms and dimers, and Fe trimer on NiAl(110) surface Tunneling spectra with a non-magnetic tip and density functional calculations of: ______________________________________________________________________ N. Nilius, T. M. Wallis, M. Persson, and W. Ho., Phys. Rev. Lett. 90, (2003) H. J. Lee, W. Ho, and M. Persson, Phys. Rev. Lett. 92, (2004)

Non-magnetic Au atom and dimers on a NiAl(110) surface STS of Au adatom and ad-dimers. Density functional calculation (PAW-GGA) VASP

Au Adatom and Ad-dimers* * Nilius, Wallis, Persson, and Ho, Phys. Rev. Lett. 90, (2003)

Tunneling Spectra and Images of an Au Ad-dimer

Density Functional Calculations: Au Adatom and Ad-dimers PW-PAW-GGA (VASP) Adatom Ad-dimer

Au Adatom

Au Ad-dimer

Resonance Energy Splittings of Dimers

Magnetic atoms, dimers and trimer on a NiAl(110) surface* STS of Co, Fe, and Mn adatoms and ad-dimers and Fe ad-trimer Density functional calculation (PAW-GGA) VASP ___________________________________________________________ *H. J. Lee, W. Ho, and M. Persson, Phys. Rev. Lett. 92, (2004)

Magnetic adatoms at 17 K

Calculated Magnetic Adatom DOS

Two Level System with a Spin FerromagneticAnti FerromagneticNon-magnetic

Magnetic Co and Fe Addimers: LDOS Co 2 /NiAl(110)   E 0 (AFM)-E 0 (FM) = 0.42eV Strong adatom-adatom interaction Interadatom distance (d = 2.2 Å) shorter than bridge-bridge distance (2.9 Å) Fe 2 /NiAl(110) E 0 (AFM)-E 0 (FM) = 0.45eV  

Magnetic Mn Addimer: LDOS   E 0 (AFM)-E 0 (FM) = 0.036eV Weak adatom-adatom interaction Interadatom distance (d = 3.0 Å) close to the bridge-bridge distance (2.9 Å)

Magnetic Fe Ad-trimer  

Concluding Remarks Unoccupied Kohn-Sham states give a useful approximation and physical insights of tunneling spectra of resonances in atom nanostructures on NiAl(110) Non-Kondo resonance signatures of the spin state in magnetic adatoms, ad-dimers and ad-trimer

Acknowledgements Experiments: Niklas Nilius and Mitch Wallis, UC Irvine, USA Theory: Doug Mills and Ruqian Wu, UC Irvine, USA R. Bechara Muniz, Univ. Federal Fluminense, Niteroi, Brazil Funding: