Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001): A density functional theory study

Authors: Danny E. P. Vanpoucke and Geert Brocks
Journal: Phys. Rev. B 77, 241308 (2008)
doi: 10.1103/PhysRevB.77.241308
IF(2008): 3.322
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pdf: <Phys.Rev.B> <arXiv> <UTwentePublications>


Pt deposited onto a Ge(001) surface gives rise to the spontaneous formation of atomic nanowires on a mixed Pt-Ge surface after high-temperature annealing. We study possible structures of the mixed surface and the nanowires by total energy density functional theory calculations. Experimental scanning-tunneling microscopy images are compared to the calculated local densities of states. On the basis of this comparison and the stability of the structures, we conclude that the formation of nanowires is driven by an increased concentration of Pt atoms in the Ge surface layers. Surprisingly, the atomic nanowires consist of Ge instead of Pt atoms.