Graphene as a reversible spin manipulator of molecular magnets.
Phys Rev Lett
; 107(25): 257202, 2011 Dec 16.
Article
em En
| MEDLINE
| ID: mdl-22243106
ABSTRACT
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=1âS=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.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Modelos Moleculares
/
Nanotecnologia
/
Nanopartículas
/
Imãs
/
Grafite
/
Modelos Químicos
Idioma:
En
Revista:
Phys Rev Lett
Ano de publicação:
2011
Tipo de documento:
Article
País de afiliação:
Suécia