Abstract
Metal free half-metallicity has been the subject of intense research in the field of spintronics devices. Using density functional theoretical calculations, atomically thin graphitic heptazine carbon nitride (gh-C3N4) based systems are studied for possible spintronics application. Ferromagnetism is observed in all of the C-doped gh-C3N4 systems due to hole injection. However, a high energy phase of C-doped gh-C3N4 (CN2@gh-C3N4) shows strong half-metallicity with a Curie temperature as high as ∼400 K. The calculated Curie temperature is noticeably higher than the metal-free based half-metallic systems studied to date. Thereby, such a ferromagnetic half-metallic system with a high Curie temperature can be promising for high temperature spintronics applications.
Original language | English (US) |
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Pages (from-to) | 11530-11539 |
Number of pages | 10 |
Journal | Journal of Materials Chemistry C |
Volume | 4 |
Issue number | 48 |
DOIs | |
State | Published - 2016 |
Externally published | Yes |
Bibliographical note
Publisher Copyright:© The Royal Society of Chemistry.