The second layer of Ag on Pt (111) is experimentally observed to form a striped dislocation pattern with Ag stripes alternating between fcc and hcp stacking. We address the origins of the stripes with a combination of density-functional theory and Monte Carlo simulations. We find that this dislocation pattern is driven by electronic and anisotropic substrate-mediated interactions associated with the Shockley surface state on Ag (111). Our simulations reveal the quantum mechanical underpinnings of strain-relief patterns, previously described phenomenologically by the classical Frenkel-Kontorova model that is widely used to describe such systems.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Mar 15 2010|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics