IDEAS home Printed from https://ideas.repec.org/a/spr/eurphb/v89y2016i3p1-910.1140-epjb-e2016-60932-x.html
   My bibliography  Save this article

Defective graphene and nanoribbons: electronic, magnetic and structural properties

Author

Listed:
  • Thiago Guerra
  • Sérgio Azevedo
  • Marcelo Machado

Abstract

We make use of first-principles calculations, based on the density functional theory (DFT), to investigate the alterations at the structural, energetic, electronic and magnetic properties of graphene and zigzag graphene nanoribbons (ZGNRs) due to the inclusion of different types of line and punctual defects. For the graphene it is found that the inclusion of defects breaks the translational symmetry of the crystal with drastic changes at its electronic structure, going from semimetallic to semiconductor and metallic. Regarding the magnetic properties, no magnetization is observed for the defective graphene. We also show that the inclusion of defects at ZGNRs is a good way to create and control pronounced peaks at the Fermi level. Furthermore, defective ZGNRs structures show magnetic moment by supercell up to 2.0μ B . For the non defective ZGNRs is observed a switch of the magnetic coupling between opposite ribbon edges from the antiferromagnetic to the ferrimagnetic and ferromagnetic configurations. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2016

Suggested Citation

  • Thiago Guerra & Sérgio Azevedo & Marcelo Machado, 2016. "Defective graphene and nanoribbons: electronic, magnetic and structural properties," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 89(3), pages 1-9, March.
  • Handle: RePEc:spr:eurphb:v:89:y:2016:i:3:p:1-9:10.1140/epjb/e2016-60932-x
    DOI: 10.1140/epjb/e2016-60932-x
    as

    Download full text from publisher

    File URL: http://hdl.handle.net/10.1140/epjb/e2016-60932-x
    Download Restriction: Access to full text is restricted to subscribers.

    File URL: https://libkey.io/10.1140/epjb/e2016-60932-x?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Masrour, R. & Jabar, A., 2018. "Size and diluted magnetic properties of diamond shaped graphene quantum dots: Monte Carlo study," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 497(C), pages 211-217.

    More about this item

    Keywords

    Solid State and Materials;

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:spr:eurphb:v:89:y:2016:i:3:p:1-9:10.1140/epjb/e2016-60932-x. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.