2005/05/31 by V. M. Garcia-Suarez, Víctor M. García‐Suárez, A. R. Rocha +9 · 1 citation
Chemistry · Engineering · Materials Science · Mathematics · Physics and Astronomy · #Chemical physics #Chemistry #Condensed matter physics #Conductance #Graphene research and applications #Materials science #Mathematics #Molecular Junctions and Nanostructures #Physics #Platinum #Quantum and electron transport phenomena #Zigzag #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevlett.95.256804
published as Physical Review Letters 95, 256804 (2005) · 4 pages. 5 Figures. Version with a new reference
openalex publication_date 2005/12/15 · arxiv created 2006/01/13 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Using first principles simulations we perform a detailed study of the structural, electronic, and transport properties of monatomic 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. Second, we find that the averaged conductance shows slight parity oscillations with the number of atoms in the chain. Additionally, the conductance of chains of fixed oscillates as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.