Web of Science: 19 citas, Scopus: 18 citas, Google Scholar: citas
FeCoCp₃ molecular magnets as spin filters
Abufager, Paula (Institut Català de Nanociència i Nanotecnologia)
Robles, Roberto (Institut Català de Nanociència i Nanotecnologia)
Lorente Palacios, Nicolás (Institut Català de Nanociència i Nanotecnologia)

Fecha: 2015
Resumen: 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 atom stacked between three cyclopentadienyl rings, which 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. Nonequilibrium 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. (Graph Presented).
Derechos: Tots els drets reservats.
Lengua: Anglès.
Documento: article ; recerca ; acceptedVersion
Materia: Cyclopentadienyl rings ; Electron transport ; Magnetic state ; Molecular candidates ; Molecular magnet ; Molecular spintronics ; Non-equilibrium Green's function ; Spin-flip process
Publicado en: Journal of physical chemistry C, Vol. 119, issue 22 (April 2015) , p. 12119-12129, ISSN 1932-7455

DOI: 10.1021/acs.jpcc.5b01839


Postprint
32 p, 2.3 MB

El registro aparece en las colecciones:
Documentos de investigación > Documentos de los grupos de investigación de la UAB > Centros y grupos de investigación (producción científica) > Ciencias > Institut Català de Nanociència i Nanotecnologia (ICN2)
Artículos > Artículos de investigación
Artículos > Artículos publicados

 Registro creado el 2018-12-17, última modificación el 2019-03-28



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