Formation of Pt induced Ge atomic nanowires on Pt/Ge(001): a DFT study

Details Formation of Pt induced Ge atomic nanowires on Pt/Ge(001): a DFT study Formation of Pt induced Ge atomic nanowires on Pt/Ge(001): a DFT study

2008-04-11

arxiv.org/abs/0804.1903v2

PRB 77, 241308 (R) (2008)

Physics

Condensed Matter

Materials Science

4 pages, 3 figures

Scientific paper

10.1103/PhysRevB.77.241308

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.

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