Rhenium-phthalocyanine molecular nanojunction with high magnetic anisotropy and high spin filtering efficiency

Journal Article · Mon Jul 20 00:00:00 EDT 2015 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4927146· OSTI ID:22486344

Li, J. ^[1]; Hu, J. ^[2]; Wang, H. ^[1]

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1. State Key Laboratory of Surface Physics, Key Laboratory of Computational Physical Sciences, and Department of Physics, Fudan University, Shanghai 200433 (China)
2. School of Physical Science and Technology, Soochow University, Suzhou, Jiangsu 215006 (China)

Using the density functional and non-equilibrium Green's function approaches, we studied the magnetic anisotropy and spin-filtering properties of various transition metal-Phthalocyanine molecular junctions across two Au electrodes. Our important finding is that the Au-RePc-Au junction has both large spin filtering efficiency (>80%) and large magnetic anisotropy energy, which makes it suitable for device applications. To provide insights for the further experimental work, we discussed the correlation between the transport property, magnetic anisotropy, and wave function features of the RePc molecule, and we also illustrated the possibility of controlling its magnetic state.

• OSTI ID: 22486344
• Journal Information: Applied Physics Letters, Vol. 107, Issue 3; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ANISOTROPY
DENSITY FUNCTIONAL METHOD
EFFICIENCY
ELECTRODES
EQUILIBRIUM
FILTERS
MOLECULES
PHTHALOCYANINES
RHENIUM
SPIN