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024 7 _ |a 10.1103/PhysRevB.84.172402
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|a Physics, Condensed Matter
100 1 _ |0 P:(DE-Juel1)130513
|a Atodiresei, N.
|b 0
|u FZJ
245 _ _ |a Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization
260 _ _ |a College Park, Md.
|b APS
|c 2011
300 _ _ |a 172402
336 7 _ |a Journal Article
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440 _ 0 |0 4919
|a Physical Review B
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|x 1098-0121
|y 17
500 _ _ |3 POF3_Assignment on 2016-02-29
500 _ _ |a This work is funded by the DFG SPP1243. The computations were performed on JUROPA and JUGENE supercomputers at the Julich Supercomputing Centre, Forschungszentrum Julich (Germany).
520 _ _ |a 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.
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773 1 8 |a 10.1103/physrevb.84.172402
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773 _ _ |a 10.1103/PhysRevB.84.172402
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856 7 _ |u http://dx.doi.org/10.1103/PhysRevB.84.172402
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|9 -- missing cx lookup --
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|9 -- missing cx lookup --
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|2 Crossref
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|2 Crossref
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|2 Crossref
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|2 Crossref
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|9 -- missing cx lookup --
|2 Crossref
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|2 Crossref
999 C 5 |a 10.1016/S0039-6028(97)00712-7
|9 -- missing cx lookup --
|2 Crossref
999 C 5 |1 I. Fleming
|y 1978
|2 Crossref
|t Frontier Orbitals and Organic Chemical Reactions
|o I. Fleming Frontier Orbitals and Organic Chemical Reactions 1978
999 C 5 |1 F. A. Carey
|y 2000
|2 Crossref
|t Organic Chemistry
|o F. A. Carey Organic Chemistry 2000
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|2 Crossref
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