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TT: Fachverband Tiefe Temperaturen

TT 49: Spintronics (organized by MA)

TT 49.6: Vortrag

Dienstag, 1. April 2014, 15:00–15:15, HSZ 401

Magnetic and electronic properties of Ni₂S₂O₂N₆C₅₇H₇₈P⁺ on Au(111) — •Kai Trepte, Claudia Martin, and Jens Kortus — Institute of Theoretical Physics, TU Bergakademie Freiberg, Germany

The electronic and magnetic properties of a Ni²⁺ dimer including a PPh₃- ligand in contact with a Au(111) surface have been measured [1]. We will present theoretical calculations using DFT (with and without van der Waals interactions) including only the PPh₃- ligand binding on the Au(111) surface in order to determine the magnetic exchange and anisotropy. We will discuss charge transfer and the bonding situation for the favored binding position in more detail. Finally we will compare these results with a calculation of the dimer on the surface including geometry changes and charge transfer.
M. Golecki et al. Chemisorption of exchange-coupled [Ni₂L(dppba)]⁺ complexes on gold by using ambidentate 4-(diphenylphosphino)benzoate co-ligands. Chemistry - A European Journal, 19(24):7787-7801, 2013.