Lennard-Jones Centre for Computational Materials Science

Simulations of defect-interface interactions in GaN

Chisholm, JA and Bristowe, PD (2000) Simulations of defect-interface interactions in GaN. Materials Research Society Symposium - Proceedings, 595. W3.72.1-W3.72.6. ISSN 0272-9172

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We report on the interaction of native point defects with commonly observed planar defects in GaN. Using a pair potential model we find a positive binding energy for all native defects to the three boundary structures investigated indicating a preference for native defects to form in these interfaces. The binding energy is highest for the Ga interstitial and lowest for vacancies. Interstitials, which are not thought to occur in significant concentrations in bulk GaN, should form in the (112̄0) IDB and the (101̄0) SMB and consequently alter the electronic structure of these boundaries.

Item Type: Article
Depositing User: Unnamed user with email sms67@eng.cam.ac.uk
Date Deposited: 05 Mar 2014 14:44
Last Modified: 18 Feb 2021 20:14

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