• 文献标题:   Ferromagnetism and Half-Metallicity in Atomically Thin Holey Nitrogenated Graphene Based Systems
  • 文献类型:   Review
  • 作  者:   CHOUDHURI I, PATHAK B
  • 作者关键词:   c2n, cdoping, halfmetallicity, holey nitrogenated graphene, metalfree condition, pyrazine, pyridine linker, spintronic
  • 出版物名称:   CHEMPHYSCHEM
  • ISSN:   1439-4235 EI 1439-7641
  • 通讯作者地址:   Indian Inst Technol IIT Indore
  • 被引频次:   5
  • DOI:   10.1002/cphc.201700633
  • 出版年:   2017

▎ 摘  要

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 297K 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.