TY - JOUR
T1 - Patterns in strained-layer heteroepitaxy
T2 - Beyond the Frenkel-Kontorova model
AU - Howe, Joshua D.
AU - Bhopale, Prateek
AU - Tiwary, Yogesh
AU - Fichthorn, Kristen Ann
PY - 2010/3/15
Y1 - 2010/3/15
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.81.121410
DO - 10.1103/PhysRevB.81.121410
M3 - Article
AN - SCOPUS:77955124051
SN - 1098-0121
VL - 81
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 12
M1 - 121410
ER -