Abstract

Molecular dynamics (MD) and high-resolution electron microscopy (HREM) imaging are used to investigate the mechanism of strain relaxation of a model 3C-SiC(001)/Si(001) interface. It is found that the essential atomic mechanism governing this process is the formation of undulations in planes parallel and perpendicular to the interface. The net effect is the generation of misfit-accommodating dislocations, of the <110> type, which allow for structure relaxation at 2, 700 and 1000 K. MD configurations are then used for HREM image simulations. Comparisons with actual HREM images of the interface support the model interface and relaxation mechanisms proposed herein.

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