Ferromagnetism and Half-Metallicity in Atomically Thin Holey Nitrogenated Graphene Based Systems

Indrani Choudhuri, Biswarup Pathak

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

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 languageEnglish (US)
Pages (from-to)2336-2346
Number of pages11
JournalChemPhysChem
Volume18
Issue number17
DOIs
StatePublished - Sep 6 2017

Keywords

  • C-doping
  • CN
  • half-metallicity
  • holey nitrogenated graphene
  • metal-free conditions
  • pyrazine/pyridine linkers
  • spintronics

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