Victor Garcia-Suarez, Alexandre Reily Rocha, Steve W. Bailey,
Colin J. Lambert, Stefano Sanvito and Jaime Ferrer
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.