Abstract
Metal-free half-metallicity has been the subject of immense research focus in the field of spintronic devices. By using density functional theoretical (DFT) calculations, atomically thin holey nitrogenated graphene (C2N) based systems are studied for possible spintronic applications. Ferromagnetism is observed in all the C-doped holey nitrogenated graphene. Interestingly, the holey nitrogenated graphene (C2N) based system shows strong half-metallicity with a Curie temperature of approximately 297 K when a particular C-doping concentration is reached. It shows a strong half-metallicity compared with any metal-free systems studied to date. Thus, such carbon nitride based systems can be used for a 100 % spin polarized current. Furthermore, such C-doped systems show excellent dynamical, thermal, and mechanical properties. Thus, we predict a metal-free planar ferromagnetic half-metallic holey nitrogenated graphene based system for room-temperature spintronic devices.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 2336-2346 |
| Number of pages | 11 |
| Journal | ChemPhysChem |
| Volume | 18 |
| Issue number | 17 |
| DOIs | |
| State | Published - Sep 6 2017 |
| Externally published | Yes |
Bibliographical note
Publisher Copyright:© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
Keywords
- C-doping
- CN
- half-metallicity
- holey nitrogenated graphene
- metal-free conditions
- pyrazine/pyridine linkers
- spintronics
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