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

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.
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [1] ;  [4]
  1. State Key Laboratory of Surface Physics, Key Laboratory of Computational Physical Sciences, and Department of Physics, Fudan University, Shanghai 200433 (China)
  2. (China)
  3. School of Physical Science and Technology, Soochow University, Suzhou, Jiangsu 215006 (China)
  4. (United States)
Publication Date:
OSTI Identifier:
22486344
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 107; Journal Issue: 3; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ANISOTROPY; DENSITY FUNCTIONAL METHOD; EFFICIENCY; ELECTRODES; EQUILIBRIUM; FILTERS; MOLECULES; PHTHALOCYANINES; RHENIUM; SPIN