The molecular dynamics and nudged elastic band methods were employed to investigate the dynamic properties of the reconstruction defect on 90° partial dislocation in Si. This involved the motion of reconstruction defect in single-period and double-period structures. When the temperature was lower than 1100K, the migration processes and velocities of single-period reconstruction defects could be simply observed. It was found that single-period reconstruction defects was remarkably mobile, which was essentially determined by its structural characteristics. At relatively higher temperature, the previous prediction that single-period reconstruction defects might act as the nucleating center of a double kink was proved. All of these molecular dynamics results were in good agreement with the calculated barriers. The migration of double-period reconstruction defects was carried out by the motion of left-right kink reconstruction defect complex and right-left kink reconstruction defect complex. Their motion sequences were described in detail and it was also found that the dangling bonds made the movement of the two complexes easier.

Dynamic Properties of Reconstruction Defect on 90° Partial Dislocation in Si. C.Wang, Z.Wang, Q.Meng, Z.Wang: Physica Status Solidi B, 2012, 249[3],  531-4