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The Journal of Physical Chemistry C
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FeCoCp3 Molecular Magnets as Spin Filters

Authors: Abufager, Paula Natalia; Robles, R.; Lorente, N.;

FeCoCp3 Molecular Magnets as Spin Filters

Abstract

Metallorganic molecules have been proposed as excellent spin filters in molecular spintronics because of the large spin-polarization of their electronic structure. However, most of the studies involving spin transport, have disregarded fundamental aspects such as the magnetic anisotropy of the molecule and the excitation of spin-flip processes during electron transport. Here, we study a molecule containing a Co and an Fe atoms stacked between three cyclopentadienyl rings that presents a large magnetic anisotropy and a S=1. These figures are superior to other molecules with the same transition metal, and improves the spin-filtering capacities of the molecule. Non-equilibrium Green's functions calculations based on density functional theory predict excellent spin-filtering properties both in tunnel and contact transport regimes. However, exciting the first magnetic state drastically reduces the current's spin polarization. Furthermore, a difference of temperature between electrodes leads to strong thermoelectric effects that also suppress spin polarization. Our study shows that in-principle good molecular candidates for spintronics need to be confronted with inelastic and thermoelectric effects.

Country
Argentina
Keywords

Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Filters, Molecules, Spin, https://purl.org/becyt/ford/1.3, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), https://purl.org/becyt/ford/1

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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