Magnetism and interaction-induced gap opening in graphene with vacancies or hydrogen adatoms: Quantum Monte Carlo study

Abstract

We study electronic properties of graphene with finite concentration of vacancies or other resonant scatterers by a straightforward lattice Quantum Monte Carlo calculations. Taking into account realistic long-range Coulomb interaction we calculate distribution of spin density associated to midgap states and demonstrate antiferromagnetic ordering. Energy gaps are open due to the interaction effects, both in the bare graphene spectrum and in the vacancy/impurity bands. In the case of 5 % concentration of resonant scatterers the latter gap is estimated as 0.7 eV and 1.1 eV for graphene on boron nitride and freely suspended graphene, respectively.

Text is substantially updated, temperature dependence of order parameter is added. Accepted for publication in PRL

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Cited by in corpus (5)

• Role of direct exchange and Dzyaloshinskii-Moriya interactions in magnetic properties of graphene derivatives: C${}_2$F and C${}_2$H
• Ferromagnetism in nitrogen doped graphene
• Hydrodynamics of particle-hole symmetric systems: a quantum Monte Carlo study
• Link auxiliary field method in the Extended Hubbard model
• Effect of vacancies on magnetic correlations and conductance in graphene nanoflakes with realistic Coulomb interaction