Loading...

Magnetization of bilayer graphene with interplay between monovacancy in each layer

Rostami, M ; Sharif University of Technology | 2013

757 Viewed
  1. Type of Document: Article
  2. DOI: 10.1063/1.4819913
  3. Publisher: 2013
  4. Abstract:
  5. Effects of introducing two monovacancies in bilayer graphene are investigated by using spin-polarized density functional theory. Each layer of bilayer graphene has a monovacancy. Two different classifications are studied, namely, AA and AB. In AA category, vacancies in upper layer and lower layer are chosen from the same sublattices (A or B). However, in AB category, vacancies are selected from the different sublattices (A and B). Two different structures of every classification are examined in order to investigate the effects of two monovacancies on structural, electronic, and magnetic properties of bilayer graphene. Structural optimization reveals that introducing a monovacancy in every layer of bilayer graphene does not significantly change the C-C bonds length around the vacancy domain. It is also found that both AA and AB structures are metallic with the shift of the Fermi level downward. Importantly, AA structures result in magnetic moment of 0.33 μB, but AB ones remain nonmagnetic
  6. Keywords:
  7. Bilayer Graphene ; C-C bonds ; Different structure ; Monovacancies ; Nonmagnetics ; Spin-polarized density functional theory ; Sub-lattices ; Upper layer ; Magnetic moments ; Vacancies ; Graphene
  8. Source: Journal of Applied Physics ; Volume 114, Issue 8 , 2013 ; 00218979 (ISSN)
  9. URL: http://scitation.aip.org/content/aip/journal/jap/114/8/10.1063/1.4819913