单层和多层二十面体富勒烯的量子输运
Quantum transport through single and multilayer icosahedral fullerenes
摘要：
我们使用紧束缚哈密顿量和格林函数方法计算了量子通过单壁富勒烯和双层和三层洋葱的二十面体对称连接到金属引线。洋葱状富勒烯的电子结构考虑了富勒烯层的曲率和有限尺寸以及壳层间相互作用的强度，这取决于属于相邻壳层的相互作用原子对的数量。同心二十面体壳层的对称轴的错位产生了单个壳层的能级简并的断裂，产生了一些窄的准连续谱带，而不是单个富勒烯的局部离散峰。因此，非对称洋葱的透射函数是费米能的快速变化函数。此外，我们发现，通过洋葱的传输的大部分功能是由于电子结构的外壳与额外的Fano样的反共振所产生的耦合与或之间的内壳。
英文摘要：
We use a tight-binding Hamiltonian and Green functions methods to calculate the quantum transmission through single-wall fullerenes and bilayered and trilayered onions of icosahedral symmetry attached to metallic leads. The electronic structure of the onion-like fullerenes takes into account the curvature and finite size of the fullerenes layers as well as the strength of the intershell interactions depending on to the number of interacting atom pairs belonging to adjacent shells. Misalignment of the symmetry axes of the concentric icosahedral shells produces breaking of the level degeneracies of the individual shells, giving rise some narrow quasi-continuum bands instead of the localized discrete peaks of the individual fullerenes. As a result, the transmission function for non symmetrical onions are rapidly varying functions of the Fermi energy. Furthermore, we found that most of the features of the transmission through the onions are due to the electronic structure of the outer shell with additional Fano-like antiresonances arising from coupling with or between the inner shells.
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