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Publication Detail
Magnetic properties of copper hexadecaphthalocyanine (FCuPc) thin films and powders
The structural and magnetic properties of FCuPc thin films and powder, including x-ray diffraction (XRD), superconducting quantum interference device (SQUID) magnetometry, and theoretical modelling of exchange interactions are reported. Analysis of XRD from films, with thickness ranging between 100 and 160 nm, deposited onto Kapton and a perylene-3,4,9,10-tetracarboxylic-3,4,9, 10-dianhydride (PTCDA) interlayer shows that the stacking angle (defined in the text) of the film is independent of the thickness, but that the texture is modified by both film thickness and substrate chemistry. The SQUID measurements suggest that all samples are paramagnetic, a result that is confirmed by our theoretical modelling including density functional theory calculations of one-dimensional molecular chains and Green's function perturbation theory calculations for a molecular dimer. By investigating theoretically a range of different geometries, we predict that the maximum possible exchange interaction between FCuPc molecules is twice as large as that in unfluorinated copper-phthalocyanine (CuPc). This difference arises from the smaller intermolecular spacing in FCuPc. Our density functional theory calculation for isolated FCuPc molecule also shows that the energy levels of Kohn-Sham orbitals are rigidly shifted ∼1 eV lower in F CuPc compared to CuPc without a significant modification of the intra-molecular spin physics, and that therefore the two molecules provide a suitable platform for independently varying magnetism and charge transport. © 2013 American Institute of Physics.
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