Strain-Tuneable Magnetism and Spintronics of Distorted Monovacancies in Graphene.

ABSTRACT: The electronic and spintronic properties of the monovacancies in freestanding and isotopically compressed graphene are investigated using hybrid exchange density functional perturbation theory. When the effects of electronic self-interaction are taken into account, an integer magnetic moment of 2 μ_B is identified for a Jahn-Teller reconstructed V₁(5-9) monovacancy in freestanding graphene. For graphene with stable ripples induced by a compressive strain of 5%, a bond reconstruction produces a V₁(55-66) structure for the monovacancy, which is localized at the saddle points of the ripple. The sizeable local distortion induced by reconstruction modifies both the geometric and electronic properties of rippled graphene and quenches the magnetic moment of the vac

SUBMITTER: Zhou H 

PROVIDER: S-EPMC9677494 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature