钴基三联苯噻唑自组装膜的高电导率光开关研究
Terphenylthiazole-based self-assembled monolayers on cobalt with high conductance photo-switching ratio for spintronics
摘要：
合成了两种新的三联苯噻唑类光开关分子，并分别在金电极和铁磁钴电极上自组装成单分子膜。超高真空中导电原子力显微镜探测的电子输运性质揭示了光致闭合（c）形式的电导大于开放（o）形式的电导。我们报告了一个前所未有的电导率比高达380之间的封闭和开放的形式对钴的分子与锚定基团（硫醇）的噻唑单元的两个N原子的一侧。这个结果是合理的密度泛函理论（DFT）计算耦合到非平衡格林函数（NEGF）形式主义。这些计算表明，在封闭形式的高电导是由于三联苯噻唑分子和Co电极之间的强电子耦合，表现为在费米能的Co电极的共振透射峰与大的加宽。对于在金电极上自组装的相同分子，没有观察到这种行为。这些高电导率使这些钴基分子结有吸引力的候选人，开发和研究开关分子自旋电子器件。
英文摘要：
Two new photo-switchable terphenylthiazoles 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 conductance of the light-induced closed (c) form larger than for the open (o) form. We report an unprecedented conductance ratio 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.
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