2 research outputs found
FeCoCp3 Molecular Magnets as Spin Filters
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