Stability of gold nanowires at large Au-Au separations

Details Stability of gold nanowires at large Au-Au separations Stability of gold nanowires at large Au-Au separations

2002-03-07

arxiv.org/abs/cond-mat/0203162v1

Physics

Condensed Matter

Materials Science

7 pages, 3 figures

Scientific paper

10.1103/PhysRevB.67.121404

The unusual structural stability of gold nanowires at large separations of gold atoms is explained from first-principles quantum mechanical calculations. We show that undetected light atoms, in particular hydrogen, stabilize the experimentally observed structures, which would be unstable in pure gold wires. The enhanced cohesion is due to the partial charge transfer from gold to the light atoms. This finding should resolve a long-standing controversy between theoretical predictions and experimental observations.

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