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arxiv: cond-mat/0505487 · v2 · submitted 2005-05-19 · ❄️ cond-mat.mtrl-sci

Conductance oscillations in zigzag platinum chains

classification ❄️ cond-mat.mtrl-sci
keywords chainsconductanceplatinumatomicatomschainfirstoscillate
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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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