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首页> 外文期刊>Nanotechnology >The spin filter effect of iron-cyclopentadienyl multidecker clusters: the role of the electrode band structure and the coupling strength
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The spin filter effect of iron-cyclopentadienyl multidecker clusters: the role of the electrode band structure and the coupling strength

机译：铁-环戊二烯基多层簇的自旋过滤效应：电极带结构和耦合强度的作用

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摘要

We present a theoretical study of spin transport in a series of organometallic iron-cyclopentadienyl, FenCpn+1, multidecker clusters sandwiched between either gold or platinum electrodes. Ab initio modeling is performed by combining the non-equilibrium Green’s function formalism with spin density functional theory. Due to the intrinsic bonding nature, the low-bias conductance of the FenCpn+1 clusters contacted to gold electrodes is relatively small even for strong cluster–electrode coupling. However, a nearly 100% spin polarization of the transmitted electrons can be achieved for the FenCpn+1 (n > 2) clusters. In contrast, the FenCpn+1 (n > 2) clusters attached to platinum electrodes through Pt adatoms not only can act as nearly perfect spin filters but also show a much larger transmission around the Fermi level, demonstrating their promising applications in future molecular spintronics.
机译：我们提出了一系列有机金属铁-环戊二烯，FenCpn + 1，夹在金或铂电极之间的多层簇的自旋输运的理论研究。从头算建模是通过将非平衡格林函数形式主义与自旋密度泛函理论相结合来进行的。由于固有的键合性质，即使对于强的团簇-电极耦合，与金电极接触的FenCpn + 1团簇的低偏置电导也相对较小。但是，对于FenCpn + 1（n> 2）簇，可以实现透射电子的近100％自旋极化。相比之下，通过Pt原子连接到铂电极的FenCpn + 1（n> 2）簇不仅可以充当近乎完美的自旋滤波器，而且在费米能级附近显示出更大的透射率，这证明了它们在未来的分子自旋电子学中的应用前景广阔。

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