Conductance oscillations in zigzag platinum chains -: art. no. 256804
Conductance oscillations in zigzag platinum chains -: art. no. 256804
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DOI：
10.1103/physrevlett.95.256804
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发表时间：
2005-12-16
影响因子：
8.6
通讯作者：
Ferrer, J
中科院分区：
文献类型：
--
作者：
García-Suárez, VM;Rocha, AR;Ferrer, J
利用第一性原理模拟，我们对夹在铂电极之间的单原子铂链的结构、电子和输运性质进行了详细的研究。首先，我们证明了最稳定的原子构型对应于一个随着链被拉伸而逐渐变直的之字形排列。其次，我们发现平均电导率随链中原子数的变化有轻微的宇称振荡。此外，固定n链的电导会随着末端原子被拉开而振荡，这是由于随着链变直，电导通道会逐渐关闭和打开。
Using first principles simulations we perform a detailed study of the structural, electronic, and transport properties of monatomic platinum chains, sandwiched between platinum electrodes. First, we demonstrate that the most stable atomic configuration corresponds to a zigzag arrangement that gradually straightens as the chains are stretched. Second, we find that the averaged conductance shows slight parity oscillations with the number n of atoms in the chain. Additionally, the conductance of chains of fixed n oscillates as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.