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 n in the chain, but instead decreases almost monotonically with n. In contrast, the conductances of chains of fixed n oscillate as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.
@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}
}