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

被引：168

作者：

Meded, V. ^{[1
]}

Bagrets, A. ^{[1
]}

Fink, K. ^{[1
]}

Chandrasekar, R. ^{[1
]}

Ruben, M. ^{[1
,2
]}

Evers, F. ^{[1
,3
]}

Bernand-Mantel, A. ^{[4
]}

Seldenthuis, J. S. ^{[4
]}

Beukman, A. ^{[4
]}

van der Zant, H. S. J. ^{[4
]}

机构：

[1] Karlsruhe Inst Technol, Inst Nanotechnol, D-76021 Karlsruhe, Germany

[2] Univ Strasbourg, IPCMS, UMR 7504, CNRS, F-67034 Strasbourg, France

[3] Karlsruhe Inst Technol, Inst Theorie Kondensierten Mat, D-76128 Karlsruhe, Germany

[4] Delft Univ Technol, Kavli Inst Nanosci, NL-2600 GA Delft, Netherlands

来源：

PHYSICAL REVIEW B | 2011年 / 83卷 / 24期

关键词：

STATE TRANSITION; CHARGE-TRANSPORT; REDOX MOLECULES; CONDUCTANCE; COMPLEXES; JUNCTIONS; SPECTRA;

D O I：

10.1103/PhysRevB.83.245415

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页数：13

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