Ab Initio Design of the Hybrid Organic-Ferromagnetic Interfaces

Nicolae Atodiresei
Institut fr Festkrperforschung (IFF) and Institute for Advanced Simulation (IAS)
Forschungszentrum Jlich and JARA !"#"! Jlich $erman% &mail' n(atodiresei)fz*+uelich(de

,om-ining molecular electronics .ith spintronics represents one of the most e/citing avenues in -uilding future nanoelectronic devices( In this conte/t a clear understanding of the ph%sics at magnetic electrode0molecule interfaces is highl% desira-le and in particular first principles simulations are used to elucidate the functionalit% of specific molecules in a given organic0metal surface environment( I .ill present a conceptual stud% to understand the local spin*polarization present at the interface for several single organic molecules adsor-ed on a ferromagnetic surface( Although adsor-ed molecules are nonmagnetic due to an energ% dependent spin*polarization in a given energ% interval the molecules have a net magnetic moment delocalized over the molecular plane( As a conse1uence near the Fermi level at the molecular site an inversion of the spin* polarization .ith respect to the ferromagnetic surface occurs( 2he generalit% of the concept predicted -% the theoretical calculations on model s%stems is further strengthened -% the spin* polarized scanning tunneling microscop% (S3*S24) e/periments performed on phthaloc%anine t%pe molecules adsor-ed on the "45 Fe6(7889) surface( In this stud% it is demonstrated that electrons of different spin :i(e( up (;) and do.n (<)= can selectivel% -e in+ected from the same ferromagnetic surface -% locall% controlling the inversion of the spin*polarization an effect .hich can -e used to increase the efficienc% of future molecular spintronic devices(

References' :8= >( Atodiresei et al. Phys. Rev. Lett. 899 88?"9? ("99@)( :A= >( Atodiresei et al. Phys. Rev. Lett. 89" 8AB@9C ("99C)( :#= J( Drede >( Atodiresei et al. Phys. Rev. Lett. 89! 9#?"9# ("989)( :A= >( Atodiresei et al. Phys. Rev. Lett. 89! 9BBB98 ("989)(