Journal
PHYSICS LETTERS A
Volume 377, Issue 3-4, Pages 347-350Publisher
ELSEVIER
DOI: 10.1016/j.physleta.2012.11.050
Keywords
Half-metallicity; Graphitic hydrogenated carbon nitride; First-principles calculation
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Funding
- Chinese Postdoctoral Science Foundation [2012M520423]
- Institute of Physics, Chinese Academy of Sciences
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The electronic properties of an experimentally realized graphitic carbon nitride (g-C3N3) layer has been studied via first-principles calculations. Unlike the recently reported ferromagnetic g-C4N3 structure, the g-C3N3 system is nonmagnetic. Based on the two-dimensional g-C3N3 structure, we predicts a new graphitic hydrogenated carbon nitride (g-H3C3N3) for the first time, which shows 100% half-metallic property around Fermi energy. It would be a kind of important material in spintronics if it could be synthesized experimentally in the future. Crown Copyright (C) 2012 Published by Elsevier B.V. All rights reserved.
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