Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization

Atodiresei, Nicolae; Caciuc, Vasile; Lazić, Predrag; Blügel, Stefan (2011) Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization. Physical Review B, 84 (17). pp. 172402-1. ISSN 1098-0121

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Abstract

We have performed systematic first-principles calculations to tailor the magnetic properties at a hybrid organic-ferromagnetic interface by adsorbing organic molecules containing p(pz) electrons onto a magnetic substrate. For such hybrid systems, magnetic properties such as molecular magnetic moments and their spatial orientation can be specifically tuned by substituting the H atoms with more electronegative atoms such as Cl and F. This chemical functionalization process surprisingly reveals the importance of the spin-orbit coupling present at the magnetic surface-molecule interface. As a key result, our simulations indicate a direct connection between substituent electronegativity and these magnetic properties which can be exploited to design more efficient organic spintronic devices.

Item Type:	Article
Uncontrolled Keywords:	ab-initio; spin injection; semiconductors; simulation; surface
Subjects:	NATURAL SCIENCES > Physics > Condensed Matter Physics
Divisions:	Theoretical Physics Division
Depositing User:	Predrag Lazić
Date Deposited:	26 Feb 2013 16:02
URI:	http://fulir.irb.hr/id/eprint/500
DOI:	10.1103/PhysRevB.84.172402

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