Faculty of Physics, A Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland.
J Phys Condens Matter. 2012 May 9;24(18):185305. doi: 10.1088/0953-8984/24/18/185305. Epub 2012 Apr 13.
Electronic transport through a junction made of two gold electrodes connected with a gold chain containing a silver impurity is analyzed with a tight binding model and the density-functional theory. It is shown that the conductance depends in a simple way on the position of the impurity in the chain and the parity of the total number of atoms of the chain. For an odd chain the conductance takes on a higher value when the Ag impurity substitutes an even Au atom in the chain, and a lower one for an odd position of the Ag atom. In the case of an even chain the conductance hardly depends on the position of the Ag atom. This new kind of a defect-induced parity oscillation of the conductance is significantly more prominent than the well-known even-odd effect related to the dependence of the conductance on the parity of number of atoms in perfect chains.
利用紧束缚模型和密度泛函理论分析了由两个金电极连接的金链中含有银杂质的结的电子输运。结果表明,电导率与杂质在链中的位置以及链中原子总数的奇偶性之间存在简单的关系。对于奇数链,当 Ag 杂质取代链中偶数 Au 原子时,电导率取更高的值,而当 Ag 原子处于奇数位置时,电导率取更低的值。对于偶数链,电导率几乎不依赖于 Ag 原子的位置。与完美链中原子数奇偶性相关的著名奇偶效应相比,这种由缺陷诱导的电导奇偶振荡更为显著。