Ab initio studies of molecule-metal interfaces for molecular electronics and spintronics

Date & Time
16 December 2013 (Mon.) 15:30 - 16:30
Place
4F seminar room (#431-2), MANA bldg., Namiki site
Speaker
Mr. Martin Callsen
Affiliation
Peter Grünberg Inst. (PGI-1) & Inst. for Advanced Simulation (IAS-1), Forschungszentrum Jülich and JARA, Jülich, Germany
Title
Ab initio studies of molecule-metal interfaces for molecular electronics and spintronics
Abstract
I will present DFT calculations on hybrid metal-organic model systems for spintronics applications. Recently designing molecular switches either by redox reactions or by conformational changes has been pursued in molecular electronics. Cyclooctatetraene (COT) adsorbed on different noble metal substrates has been investigated as a possible candidate for a conformational switch. The role of charge states which change the conformation of COT in the gas phase is taken by the different strength of hybridization between the COT molecule and the surface. As a candidate for a molecular spintronics device we studied the adsorption of the prototypical, biplanar [2,2]paracyclophane molecule on the Fe/W(110) surface, which locally increases the strength of the magnetic exchange interaction between the Fe atoms directly binding to the molecule[1]. The observed magnetic hardening effect leads to the creation of a local molecule mediated magnetic unit with a stable magnetization direction and an enhanced barrier for the magnetization switching as compared to the clean surface.
[1] M. Callsen, et al., Phys. Rev. Lett. 111, 106805 (2013).
Contact
Dr. Ikutaro Hamada(濱田幾太郎)