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Magnetic properties of copper hexadecaphthalocyanine (F16CuPc) thin films and powders
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Wu, Wei, Rochford, Luke A., Felton, S., Wu, Zhenlin, Yang, J. L., Heutz, S., Aeppli, G., Jones, T. S. (Tim S.), Harrison, N. M. and Fisher, A. J. (2013) Magnetic properties of copper hexadecaphthalocyanine (F16CuPc) thin films and powders. Journal of Applied Physics, Volume 113 (Number 1). Article number 013914. doi:10.1063/1.4773456 ISSN 0021-8979.
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Official URL: http://dx.doi.org/10.1063/1.4773456
Abstract
The structural and magnetic properties of F16CuPc 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 F16CuPc molecules is twice as large as that in unfluorinated copper-phthalocyanine (CuPc). This difference arises from the smaller intermolecular spacing in F16CuPc. Our density functional theory calculation for isolated F16CuPc molecule also shows that the energy levels of Kohn-Sham orbitals are rigidly shifted ∼1 eV lower in F16CuPc 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.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
| Journal or Publication Title: | Journal of Applied Physics | ||||
| Publisher: | American Institute of Physics | ||||
| ISSN: | 0021-8979 | ||||
| Official Date: | January 2013 | ||||
| Dates: |
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| Volume: | Volume 113 | ||||
| Number: | Number 1 | ||||
| Page Range: | Article number 013914 | ||||
| DOI: | 10.1063/1.4773456 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Restricted or Subscription Access |
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