Hyperfine interaction of H-divacancy in diamond

We present a first principles density functional theory study of microscopic properties of hydrogen defect centres in diamond. Several configurations, involving interstitial hydrogen impurities, have been considered either forming with other defects, such as hydrogen defects and vacancies. The atomi...

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Bibliographic Details
Main Authors: M.K. Atumi, J.P. Goss, P.R. Briddon, A.M. Gsiea, M.J. Rayson
Format: Article
Language:English
Published: Elsevier 2020-03-01
Series:Results in Physics
Subjects:
DFT
EPR
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379719323241