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• W2212044635 abstract "First principle calculations of the conductance of gold wires containing 3-8 atoms each with 2.39 {AA} bond length were performed using density functional theory. Three different configuration of wire/electrodes were used. For zigzag wire with semi-infinite crystalline electrodes, even-odd oscillation is observed which is consistent with the previously reported results. A lower conductance was observed for the chain in semi-infinite crystalline electrodes compared to the chains suspended in wire-like electrode. The calculated transmission spectrum for the straight and zig-zag wires suspended between semi-infinite crystalline electrodes showed suppression of transmission channels due to electron scattering occurring at the electrode-wire interface." @default.
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• W2212044635 date "2016-05-01" @default.
• W2212044635 modified "2023-10-14" @default.
• W2212044635 title "The effect of semi-infinite crystalline electrodes on transmission of gold atomic wires using DFT" @default.
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• W2212044635 doi "https://doi.org/10.1016/j.physe.2015.12.011" @default.
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