Core structures analyses of (a+c)-edge dislocations in wurtzite GaN through atomistic simulations and Peierls–Nabarro model

Journal Article · Thu May 21 04:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4921289· OSTI ID:22410217

Chen, Cheng; Meng, Fanchao; Song, Jun ^[1]

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1. Department of Mining and Materials Engineering, McGill University, Montréal, Québec H3A 0C5 (Canada)

The core structures and slip characteristics of (a+c)-edge dislocations on pyramidal planes in wurtzite GaN were investigated employing molecular dynamics simulations. Multiple stable core configurations are identified for dislocations along the glide and shuffle planes. The corresponding generalized-stacking-fault energy (GSFE) curves for the glide and shuffle slips are calculated. The GSFE curves, combined with the Peierls–Nabarro model, demonstrate that the shuffle slip is favored over the glide slip given the markedly lower Peierls energy and stress of the shuffle slip. Our findings also indicate that in general slip motions for (a+c)-edge dislocations are only possible at elevated temperature, and the necessity of further studies of thermally activated processes to better understand the dynamics of (a+c) dislocations in GaN.

• OSTI ID: 22410217
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 19 Vol. 117; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COMPUTERIZED SIMULATION
CUBIC LATTICES
EDGE DISLOCATIONS
GALLIUM NITRIDES
MOLECULAR DYNAMICS METHOD
SLIP
STACKING FAULTS
STRESSES
TEMPERATURE DEPENDENCE