First-principles prediction of metal-free magnetism and intrinsic half-metallicity in graphitic carbon nitride

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 nitr...

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Bibliographic Details
Published inPhysical review letters Vol. 108; no. 19; p. 197207
Main Authors Du, Aijun, Sanvito, Stefano, Smith, Sean C
Format Journal Article
LanguageEnglish
Published United States 11.05.2012
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Summary: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.
ISSN:1079-7114
DOI:10.1103/PhysRevLett.108.197207