Publication Date:
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.
Iris type:
01.01 Articolo in rivista
Keywords:
Electron transport; DFT; wannier function; WanT; Landauer
List of contributors:
Cavazzoni, Carlo; Calzolari, Arrigo
Published in: