Core structures of the a -edge dislocation in InN

Stillinger-Weber potential parameters were optimized for InN by fitting to the bulk material properties and point defect energy in order to calculate the core structure of the a -edge dislocation. The initial displacement field is imposed in the perfect crystal according to isotropic linear elastici...

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Bibliographic Details
Published in:Applied physics letters 2007-03, Vol.90 (11), p.111901-111901-3
Main Authors: Lei, H. P., Ruterana, P., Nouet, G., Jiang, X. Y., Chen, J.
Format: Article
Language:English
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Summary:Stillinger-Weber potential parameters were optimized for InN by fitting to the bulk material properties and point defect energy in order to calculate the core structure of the a -edge dislocation. The initial displacement field is imposed in the perfect crystal according to isotropic linear elasticity theory, and then the system is relaxed to the minimum energy. The different origins of the displacement field generate three cores with four, eight or five/seven atoms. The calculated energies indicate that the four-atom core structure is the most stable for InN.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.2712799