PMID: 11909482Mar 23, 2002Paper

Overlayer strain relief on surfaces with square symmetry: phase diagram for a 2D Frenkel-Kontorova model

Physical Review Letters
J C Hamilton

Abstract

Overlayers on surfaces with square symmetry exhibit a huge variety of strain relief mechanisms. I present a simple 2D Frenkel-Kontorova model and calculate the associated zero temperature phase diagram which shows a transition from overlayers with square symmetry (and possible square dislocation patterns) to hexagonal symmetry. The phase diagram includes the experimentally observed clock-rotated phase. Local density approximation calculations suggested by the model show that a clean Ni(100) surface reconstructs from a bulk-terminated to a clock-rotated structure at biaxial compressive strains above 2.5%.

References

Sep 15, 1996·Physical Review. B, Condensed Matter·P T SprungerF Besenbacher
Jun 11, 1990·Physical Review Letters·S G MochrieD Gibbs
Dec 16, 1991·Physical Review Letters·X Q Wang
Sep 7, 1992·Physical Review Letters·S Narasimhan, D Vanderbilt
Aug 16, 1993·Physical Review Letters·V FiorentiniM Scheffler
Jul 31, 1995·Physical Review Letters·J C Hamilton, S M Foiles
Mar 25, 1996·Physical Review Letters·B MüllerK Kern

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Citations

Sep 1, 2006·The Journal of Chemical Physics·K Gustafsson, S Andersson

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