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A Multimode Spin Conductance Switching by Coordination Isomerization in Organometallic Single-molecule Junctions

Abstract

Single-molecule junctions provide the additional flexibility of tuning the on/off conductance states through molecular design. Here we focus on a family of organometallic complexes with a conjugated curved buckybowl as ligand. Using first principles calculation, a multi-mode reversible spin switching based on CpFe•corannulene complex can be realized by temperature control of CpFe+ coordination position in corannlene. The different spin conductance states for three coordinated modes are ascribed to the electron spin states of organometallic complex due to crystal field effect. The predicated relative stability of isomers and energy barriers of isomerization reactions can ensure that the conversion among the three isomers can occur quickly and, at a specific temperature, a dominant isomer has a higher proportion than other two isomers. It provides a new framework for understanding transport in organometallic complex with localized d states. This presents an exciting opportunity of exploiting junctions involving molecular spin switch.

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Publication details

The article was received on 08 May 2018, accepted on 12 Jul 2018 and first published on 13 Jul 2018


Article type: Paper
DOI: 10.1039/C8CP02914H
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    A Multimode Spin Conductance Switching by Coordination Isomerization in Organometallic Single-molecule Junctions

    Y. Jiang, X. Xu, Y. Hu, G. Zhang, Z. Liang, W. Li, Y. Jiang and X. Sun, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP02914H

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