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Published in

Rsc, Materials Horizons, 7(8), p. 1966-1975, 2021

DOI: 10.1039/d1mh00397f

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Visualizing defect energetics

Journal article published in 2021 by Shashwat Anand ORCID, James P. Male ORCID, Chris Wolverton ORCID, G. Jeffrey Snyder ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Preprint: policy unknown
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Postprint: policy unknown
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Published version: policy unknown
Data provided by SHERPA/RoMEO

Abstract

Stability of any point defect type and the corresponding compound can be visualized within the same convex-hull framework. Defect formation enthalpy is determined using intercepts at the compositions of the pure elements involved in defect formation.