Abstract
We report on theoretical and experimental work involving a particular molecular switch, an [Fe(L)] complex, that utilizes a spin transition (“crossover”). The hallmark of this transition is a change of the spin of the metal ion, to , at fixed oxidation state of the Fe ion. Combining density functional theory and first principles calculations, we demonstrate that within a single molecule this transition can be triggered by charging the ligands. In this process the total spin of the molecule, combining metal ion and ligands, crosses over from to . Three-terminal transport through a single molecule shows indications of this transition induced by electric gating. Such an electric field control of the spin transition allows for a local, fast, and direct manipulation of molecular spins, an important prerequisite for molecular spintronics.
6 More- Received 6 December 2010
DOI:https://doi.org/10.1103/PhysRevB.83.245415
©2011 American Physical Society