Electrical control over the Fe(II) spin crossover in a single molecule: Theory and experiment

Meded, V. ; Bagrets, A. ; Fink, K. ; Chandrasekar, R. ; Ruben, M. ; Evers, F. ; Bernand-Mantel, A. ; Seldenthuis, J. S. ; Beukman, A. ; van der Zant, H. S. J. (2011) Electrical control over the Fe(II) spin crossover in a single molecule: Theory and experiment Physical Review B, 83 (24). ISSN 1098-0121

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Official URL: http://doi.org/10.1103/PhysRevB.83.245415

Related URL: http://dx.doi.org/10.1103/PhysRevB.83.245415

Abstract

We report on theoretical and experimental work involving a particular molecular switch, an [Fe II (L) 2 ] 2+ complex, that utilizes a spin transition ("crossover"). The hallmark of this transition is a change of the spin of the metal ion, S Fe = 0 to S Fe = 2, 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 S = 0 to S = 1. 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.

Item Type:Article
Source:Copyright of this article belongs to American Physical Society.
ID Code:117434
Deposited On:23 Apr 2021 09:02
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