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Conductance oscillations in zigzag platinum chains

V. M. Garcia-Suarez·A. R. Rocha·S. W. Bailey·C. J. Lambert·S. Sanvito·J. Ferrer
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Abstract

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.

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V. M. Garcia-Suarez, A. R. Rocha, S. W. Bailey, C. J. Lambert, S. Sanvito, J. Ferrer. 2006-01-13. Conductance oscillations in zigzag platinum chains. https://doi.org/10.1103/physrevlett.95.256804

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