Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systems
نویسندگان
چکیده
منابع مشابه
Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systems
Half-metallicity rising from the s/p electrons has been one of the hot topics in spintronics. Based on the first-principles of calculation, we explore the magnetic properties of the B-doped graphitic heptazine carbon nitride (gh-C3N4) system. Ferromagnetism is observed in the B-doped gh-C3N4 system. Interestingly, its ground state phase (BC1@gh-C3N4) presents a strong half-metal property. Furth...
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Since the graphitic carbon nitride (g-C4N3), which can be seen as C-doped graphitic-C3N4 (g-C3N4), was reported to display ferromagnetic ground state and intrinsic half-metallicity (Du et al., PRL,108,197207,2012), it has attracted numerous research interest to tune the electronic structure and magnetic properties of g-C3N4 due to their potential applications in spintronic devices. In this pape...
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F. Beiuşeanu,1 C. Horea,1 E.-V. Macocian,1 T. Jurcuţ,1 L. Vitos,2,3,4 and L. Chioncel5,6 1Department of Physics, University of Oradea, RO-410087 Oradea, Romania 2Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden 3Department of Physics and Materials Science, Uppsala University, PO Box 516, SE-75120 Uppsala, Swed...
متن کاملFirst-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 nitride (g-C4N3) displays a ferromagnetic ground state. Furthermore, this novel material is predicted...
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ژورنال
عنوان ژورنال: Nanoscale Research Letters
سال: 2018
ISSN: 1931-7573,1556-276X
DOI: 10.1186/s11671-018-2473-x