Electronic and magnetic properties of graphene quantum dots with two charged vacancies

preprint2020arXivOpen access

Abstract

Electronic and magnetic properties of a system of two charged vacancies in hexagonal shaped graphene quantum dots are investigated using a mean-field Hubbard model as a function of the Coulomb potential strength ββ of the charge impurities and the distance R between them. For β=0β=0, the magnetic properties of the vacancies are dictated by Lieb's rules where the opposite (same) sub-lattice vacancies are coupled antiferromagnetically (ferromagnetically) and exhibit Fermi oscillations. Here, we demonstrate the emergence of a non-magnetic regime within the subcritical region: as the Coulomb potential strength is increased to β∼0.1β\sim 0.1 , before reaching the frustrated atomic collapse regime, the magnetization is strongly suppressed and the ground state total spin is given by Sz=0S_{z}=0 both for opposite and same sublattice vacancy configurations. When long-range electron-electronz in-teractions are included within extended mean-field Hubbard model, the critical value for the frustrated collapse increases from βcf∼0.28β_{cf} \sim 0.28 to βcf∼0.36β_{cf} \sim 0.36 for R<27 A˚R < 27 \ Å .

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