Abstract
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) |
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Article number | 121410 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 81 |
Issue number | 12 |
DOIs | |
State | Published - Mar 15 2010 |
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics