First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride
Citation:
Aijun Du, Stefano Sanvito and Sean C. Smith, First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride, Physical Review Letters, 108, 19, 2012, 197207Download Item:
Abstract:
Transition metal-free magnetism and half-metallicity recently has been the subject of intense research activity due to its potential in spintronics application. Here we, for the first time, demonstrate via density functional theory that the most recently experimentally realized graphitic carbon nitride (g-C4N3) displays a ferromagnetic ground state. Furthermore, this novel material is predicted to possess an intrinsic half-metallicity never reported to date. Our results highlight a new promising material toward realistic metal-free spintronics application.
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Grant Number
Science Foundation Ireland (SFI)
G20348
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http://people.tcd.ie/sanvitosDescription:
PUBLISHED
Author: SANVITO, STEFANO
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Journal ArticleCollections
Series/Report no:
Physical Review Letters108
19
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metal-free spintronics applicationSubject (TCD):
Nanoscience & MaterialsDOI:
http://dx.doi.org/10.1103/PhysRevLett.108.197207Metadata
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