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Theoretical investigation on the interaction of nitrogen with dislocations in single crystal CVD diamond

Lookup NU author(s): Professor Patrick Briddon

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Abstract

In recent experimental studies, evidence for an atmosphere of nitrogen around the cores of dislocations was found in irradiated single crystal CVD diamond. In this paper, we present a first-principles study on the interaction of nitrogen with dislocations in single crystal CVD diamond, where dislocations are observed as mixed-type 45° and 90° edge-type dislocations lying along <100>. We find a strong binding of nitrogen to the dislocation core for both types of dislocations and show that our results are in consistency with the experiment. © 2007 Elsevier B.V. All rights reserved.

Publication metadata

Author(s): Fujita N, Jones R, Oberg S, Briddon PR

Publication type: Article

Publication status: Published

Journal: Diamond and Related Materials

Year: 2008

Volume: 17

Issue: 2

Pages: 123-126

Print publication date: 01/02/2008

ISSN (print): 0925-9635

ISSN (electronic):

Publisher: Elsevier SA

URL: http://dx.doi.org/10.1016/j.diamond.2007.11.004

DOI: 10.1016/j.diamond.2007.11.004

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