Origin of anomalously long interatomic distances in suspended gold chains
Origin of anomalously long interatomic distances in suspended gold chains
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DOI：
10.1103/physrevlett.88.076105
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发表时间：
2002-02-18
影响因子：
8.6
通讯作者：
Ugarte, D
中科院分区：
文献类型：
--
作者：
Legoas, SB;Galvao, DS;Ugarte, D
金原子链中长键的发现对物理解释提出了挑战。事实上，原子间的距离经常达到3.0-3.6埃的值，偶尔可以观察到5.0埃的距离。在这里，我们研究了金链的透射电子显微镜，并进行理论计算，使用集团从头算密度泛函形式主义。我们表明，两个碳原子的插入是需要占最长的债券，而3埃以上的距离可能是由于清洁和一个碳原子污染的债券的混合物。
The discovery of long bonds in gold atom chains has represented a challenge for physical interpretation. In fact, interatomic distances frequently attain 3.0-3.6 Angstrom values, and distances as large as 5.0 Angstrom may be occasionally observed. Here we studied gold chains by transmission electron microscopy and performed theoretical calculations using cluster ab initio density functional formalism. We show that the insertion of two carbon atoms is required to account for the longest bonds, while distances above 3 Angstrom may be due to a mixture of clean and one C atom contaminated bonds.