On the dislocation core structures associated to point defect cluster formation in diamond and silicon

This paper focuses on the dislocation configurations that show up during the annihilation of a perfect dislocation vacancy dipole. Indeed unexpected transient dislocation core structures can be evidenced out of the atomistic structures computed during this annihilation process. Using the Geometric Phase Analysis these dislocation configurations can be analysed as partial dislocations, resulting from the dissociation of a perfect dislocation with ½[110] Burgers vector, bounding a nano crack (or a point defect cluster) along a (111) shuffle plane. Those partial dislocations appear as to be associated with an incipient dissociation/crack present in the core of perfect shuffle dislocations. (© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)