Document Type

Journal Article

Department/Unit

Institute of Computational and Theoretical Studies

Abstract

Based on first-principles calculations, we reveal that the interactions between extended line defects (ELDs) of type “585” (formed by five and eight membered rings) ELDs embedded in graphene can induce ordered magnetism and self-doping of graphene. By reducing the distance between 585 ELDs, a distinct charge transfer is predicted from the center of 585 ELDs to their edges, which induces a Dirac point shift below the Fermi level, resulting in distance- or density-dependent n-type doping in the graphene. Relevant to the above finding, we found a distance-dependent spin polarization at the edges of 585 ELDs, attributable to the rigidity of the π electronic structure. Our finding suggests a promising approach for achieving n-type graphene for spintronic devices by creating 585 ELDs.

Publication Year

2015

Journal Title

Physical Review B

Volume number

91

Publisher

American Physical Society

First Page (page number)

045425-1

Last Page (page number)

045425-7

Referreed

1

DOI

10.1103/PhysRevB.91.045425

ISSN (print)

1550235X

Link to Publisher’s Edition

https://dx.doi.org/10.1103/PhysRevB.91.045425

Included in

Physics Commons

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