Dislocation formation from a surface step in semiconductors: an ab initio study

Details Dislocation formation from a surface step in semiconductors: an ab initio study Dislocation formation from a surface step in semiconductors: an ab initio study

2007-09-11

arxiv.org/abs/0709.1579v1

Physical Review B 73, 9 (2006) 092105

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.73.092105

The role of a simple surface defect, such as a step, for relaxing the stress applied to a semiconductor, has been investigated by means of large scale first principles calculations. Our results indicate that the step is the privileged site for initiating plasticity, with the formation and glide of 60$^\circ$ dislocations for both tensile and compressive deformations. We have also examined the effect of surface and step termination on the plastic mechanisms.

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