On the atomic structures, mobility and interactions of extended defects in GaN: dislocations, tilt and twin boundaries

A Bere (1) , Anna Serra (2)

1 UFR/SEA/PHYSIQUE
2 Matematica Aplicada III

Results obtained by atomic computer simulation based on an adapted Stillinger-Weber (S-W) potential concerning the atomic structure and relative stability of lattice dislocations, tilt and twin boundaries in GaN are discussed. We present the core shape and energy of a and c crystal dislocations of both edge and screw character; [0001] tilt boundaries of misorientation angles from 9.30 (corresponding to Σ37) to 44.8ş (corresponding to Σ43) and (10-1n) twin boundaries (n=1,2,3) [1-4]. The atomic structures of the tilt boundaries can be described in terms of the three stable structures of the prism a-edge dislocation core. The (10-13) twin boundary is entirely described by 6-coordinated channels whereas the other twin boundaries present more complex structural units.

Mots clés: Physical Sciences

A Bere, Anna Serra. On the atomic structures, mobility and interactions of extended defects in GaN: dislocations, tilt and twin boundaries. Philosophical Magazine, 2006, 86 (15), pp.2163-2196. ⟨10.1080/14786430600640486⟩. ⟨hal-00513674⟩