Abstract
The perfect 60° glide dislocation in diamond serves as an example of how different aspects of dislocationscan be modelled in an approach combining continuum elasticity theory with atomisticdensity-functional-based tight-binding calculations. After investigating the perfect60° dislocation and its isolated Shockley partials, the energetics of dissociation are discussed. The60° dislocation is found to dissociate with a substantial lowering of its line energy.However, an energy barrier to dissociation is found. The glide motion of the30° Shockley partial involved is modelled in a process involving the thermal formation andsubsequent migration of kinks along the dislocation line.
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