Structure and Stability of Partial Dislocation Complexes in 3C-SiC by Molecular Dynamics Simulations.

In this work, the structure and stability of partial dislocation (PD) complexes terminating double and triple stacking faults in 3C-SiC are studied by molecular dynamics simulations. The stability of PD complexes is demonstrated to depend primarily on the mutual orientations of the Burgers vectors of constituent partial dislocations. The existence of stable complexes consisting of two and three partial dislocations is established. In particular, two types of stable double (or extrinsic) dislocation complexes are revealed formed by two 30° partial dislocations with different orientations of Burgers vectors, or 30° and 90° partial dislocations. Stable triple PD complexes consist of two 30° partial dislocations with different orientations of their Burgers vectors and one 90° partial dislocation, and have a total Burgers vector that is equal to zero. Results of the simulations agree with experimental observations of the stable PD complexes forming incoherent boundaries of twin regions and polytype inclusions in 3C-SiC films.