Undissociated screw dislocations in silicon: calculations of core structure and energy

Details Undissociated screw dislocations in silicon: calculations of core structure and energy Undissociated screw dislocations in silicon: calculations of core structure and energy

2007-09-11

arxiv.org/abs/0709.1588v1

Philosophical Magazine A 83, 10 (2003) 1191

Physics

Condensed Matter

Materials Science

Scientific paper

10.1080/0141861031000071999

The stability of the perfect screw dislocation in silicon has been investigated using both classical potentials and first-principles calculations. Although a recent study by Koizumi et al . stated that the stable screw dislocation was located in both the 'shuffle' and the 'glide' sets of {111} planes, it is shown that this result depends on the classical potential used, and that the most stable configuration belongs to the 'shuffle' set only, in the centre of one hexagon. We also investigated the stability of an sp 2 hybridization in the core of the dislocation, obtained for one metastable configuration in the 'glide' set. The core structures are characterized in several ways, with a description of the three-dimensional structure, differential displacement maps and derivatives of the disregistry.

Affiliated with

Also associated with

No associations

Rating

Undissociated screw dislocations in silicon: calculations of core structure and energy does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Undissociated screw dislocations in silicon: calculations of core structure and energy, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Undissociated screw dislocations in silicon: calculations of core structure and energy will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-392237