中文

Conductance oscillations in zigzag platinum chains

材料科学 2007-05-23 v2

摘要

Using first principles simulations we perform a detailed study of the structural, electronic and transport properties of monoatomic 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. Secondly, we find that the conductance at equilibrium atomic spacing does not oscillate with the number of atoms nn in the chain, but instead decreases almost monotonically with nn. In contrast, the conductances of chains of fixed nn oscillate as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.

关键词

引用

@article{arxiv.cond-mat/0505487,
  title  = {Conductance oscillations in zigzag platinum chains},
  author = {V. M. Garcia-Suarez and A. R. Rocha and S. W. Bailey and C. J. Lambert and S. Sanvito and J. Ferrer},
  journal= {arXiv preprint arXiv:cond-mat/0505487},
  year   = {2007}
}

备注

4 pages. 5 Figures. Version with a new reference