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Lookup NU author(s): Hind Alsnani,
Professor Jon Goss,
Professor Patrick Briddon,
Dr Mark Rayson,
Dr Alton Horsfall
This is the authors' accepted manuscript of an article that has been published in its final definitive form by Wiley-VCH Verlag, 2019.
For re-use rights please refer to the publisher's terms and conditions.
© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, WeinheimThe carbon vacancy in bulk 4H-SiC and in the vicinity of an SiO2/(0001)-4H-SiC interface using density-functional theory is studied. It is found that the migration is hindered in the immediate vicinity of the interface, with the energy barrier for diffusion being ≈15% greater than the same defect in bulk 4H-SiC. Herein, it is shown that the increased barrier is a consequence of the stabilization of the vacancy in the immediate interface due to a combination of strengthened reconstructions and interfacial relaxation, coupled with the destabilization of the transition-state structure.
Author(s): Alsnani H, Goss JP, Briddon P, Rayson M, Horsfall AB
Publication type: Article
Publication status: Published
Journal: Physica Status Solidi (A) Applications and Materials Science
Online publication date: 12/08/2019
Acceptance date: 26/07/2019
Date deposited: 15/10/2019
ISSN (print): 1862-6300
ISSN (electronic): 1862-6319
Publisher: Wiley-VCH Verlag
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