Keywords :
Anchoring groups; Closed form; Conductive atomic force microscopy; Density-functional theory calculations; Electron-transport properties; Electronic coupling; Light-induced; Non-equilibrium Green's function formalism; Photo-switchable; Synthesised; Materials Science (all); Physics - Mesoscopic Systems and Quantum Hall Effect; physics.app-ph; General Materials Science
Abstract :
[en] Two new photo-switchable terphenylthiazole molecules are synthesized and self-assembled as monolayers on Au and on ferromagnetic Co electrodes. The electron transport properties probed by conductive atomic force microscopy in ultra-high vacuum reveal a larger conductance of the light-induced closed (c) form than for the open (o) form. We report an unprecedented conductance ratio of up to 380 between the closed and open forms on Co for the molecule with the anchoring group (thiol) on the side of the two N atoms of the thiazole unit. This result is rationalized by Density Functional Theory (DFT) calculations coupled to the Non-Equilibrium Green's function (NEGF) formalism. These calculations show that the high conductance in the closed form is due to a strong electronic coupling between the terphenylthiazole molecules and the Co electrode that manifests by a resonant transmission peak at the Fermi energy of the Co electrode with a large broadening. This behavior is not observed for the same molecules self-assembled on gold electrodes. These high conductance ratios make these Co-based molecular junctions attractive candidates to develop and study switchable molecular spintronic devices.
Funding text :
This work has been financially supported by the French National Research Agency (ANR), project SPINFUN ANR-17-CE24-0004. We acknowledge D. Deresmes for his valuable help with the UHV CAFM instrument, Xavier Wallart for the XPS measurements, Y. Deblock for ellipsometry. The IEMN clean-room fabrication and SPM characterization facilities are partly supported by renatech. The work of I. A. is supported by the Belgian National Fund for Scientific Research (F.R.S.-FNRS) thanks to the project SPINFUN (Convention T.0054.20). We also acknowledge the Consortium des équipements de Calcul Intensif (CéCI) funded by the Belgian National Fund for Scientific Research (F.R.S.-FNRS) for providing the computational resources. J. C. is an FNRS research director.
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