Graphene as a reversible spin manipulator of molecular magnets.

  title={Graphene as a reversible spin manipulator of molecular magnets.},
  author={Sumanta Bhandary and Saurabh Ghosh and Heike C. Herper and Heiko Wende and Olle Eriksson and Biplab Sanyal},
  journal={Physical review letters},
  volume={107 25},
One of the primary objectives in molecular nanospintronics is to manipulate the spin states of organic molecules with a d-electron center, by suitable external means. In this Letter, we demonstrate by first principles density functional calculations, as well as second order perturbation theory, that a strain induced change of the spin state, from S=1→S=2, takes place for an iron porphyrin (FeP) molecule deposited at a divacancy site in a graphene lattice. The process is reversible in the sense… 

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Magnetism From Fundamentals to Nanoscale Dynamics
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