Journal
PHYSICAL REVIEW B
Volume 74, Issue 24, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.74.245320
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Conductance calculations employing density functional theory methodology and Landauer formalism predict that a ligated iron atom can be used as a switching device. The iron atom is ligated in our models by a porphyrin molecule. The iron-porphyrin molecular device is shown to lose more than 66% of its conductance by shifting from the low spin coupling state to excited spin states. Further reduction is also correlated with a mechanical distortion of the porphyrin plane. Both the distortions and spin transitions are fast processes that can be invoked by manipulating the iron's ligation scheme through the axial ligands.
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