We study the electronic and transport properties of artificial Au atomic chains on a NiAl(110) surface template using state-of-the-art first principles calculations. Au chains display remarkable onedimensional electronic properties that can be tuned by the selective adsorption of small molecules: a single CO group is shown to modulate the electronic wave functions, acting as a ''chemical scissor'' along the chain, to strongly modify the coherent transport properties of the system, and to help design one-dimensional nanodevices through artificial profiling of energy barriers.

Electronic and transport properties of artificial gold chains

Arrigo Calzolari;
2004

Abstract

We study the electronic and transport properties of artificial Au atomic chains on a NiAl(110) surface template using state-of-the-art first principles calculations. Au chains display remarkable onedimensional electronic properties that can be tuned by the selective adsorption of small molecules: a single CO group is shown to modulate the electronic wave functions, acting as a ''chemical scissor'' along the chain, to strongly modify the coherent transport properties of the system, and to help design one-dimensional nanodevices through artificial profiling of energy barriers.
2004
INFM
Electron transport
DFT
wannier function
WanT
Landauer
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/165277
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