Graphene as a Reversible Spin Manipulator of Molecular Magnets
2011 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 107, no 25, 257202- p.Article in journal (Refereed) Published
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 that the application of tensile or compressive strains in the graphene lattice can stabilize FeP in different spin states, each with a unique saturation moment and easy axis orientation. The effect is brought about by a change in Fe-N bond length in FeP, which influences the molecular level diagram as well as the interaction between the C atoms of the graphene layer and the molecular orbitals of FeP.
Place, publisher, year, edition, pages
2011. Vol. 107, no 25, 257202- p.
IdentifiersURN: urn:nbn:se:uu:diva-167201DOI: 10.1103/PhysRevLett.107.257202ISI: 000298133000003OAI: oai:DiVA.org:uu-167201DiVA: diva2:481881