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Magnetic properties and Kondo behavior of deposited clusters beyond density-functional theory
Antragsteller
Professor Dr. Stefan Blügel
Mitantragstellerin
Professorin Dr. Silke Biermann
Fachliche Zuordnung
Theoretische Physik der kondensierten Materie
Förderung
Förderung von 2003 bis 2006
Projektkennung
Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 5405350
We combine spin-polarized density functional theory calculations based on the relativistic Green function Korringa-KohnRostocker method with recent developments in the field of quantum impurity models to investigate on a quantitative level the nanomagnetism and the Kondo state of realistic finite size clusters deposited on various substrates. We focus on the incremental change of the properties upon cluster size and shape of clusters of a selected class of magnetic atoms. The electronic, geometric and magnetic structures, the spin- and orbital magnetic moment, and the magnetic anisotropy will be determined. We perform quantum impurity calculations for the d-electrons of the cluster to determine observables like magnetisation, photo-emission spectrum and tunneling current above and below the Kondo state.
DFG-Verfahren
Schwerpunktprogramme
Internationaler Bezug
Frankreich
Beteiligte Person
Dr. Rudolf Zeller