Modeling the Kondo effect of a magnetic atom adsorbed on graphene

Liang, Liangbo; Costa Girão, Eduardo; Meunier, Vincent

doi:10.1088/2053-1583/ab2322

Title: Modeling the Kondo effect of a magnetic atom adsorbed on graphene

Journal Article · 06 June 2019 · 2D Materials

DOI: https://doi.org/10.1088/2053-1583/ab2322 · OSTI ID:1524870

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Rensselaer Polytechnic Inst., Troy, NY (United States)
Univ. Federal do Piaui, Piaui (Brazil)
Rensselaer Polytechnic Inst., Troy, NY (United States)

The Kondo effect due to a magnetic atom adsorbed on graphene is investigated using two theoretical approaches, including the non-equilibrium Green's function method within the slave-boson mean-field approximation and a newly developed tight-binding (TB) model with an effectively infinite Hubbard U term. Both methods reveal the presence of a Kondo peak in the local density of state (LDOS) of graphene near the Fermi level. A sharp Kondo peak is only observed in the odd-neighboring C sites of the C atom directly below the magnetic atom placed in top position. The peak intensity is found to decay quickly with respect to the distance between the C site and the magnetic atom. A theoretical model of scanning tunneling microscopy (STM) of graphene is presented as a means to identify the manifestation of the Kondo effect via direct topographic STM measurements. STM simulations show that in the proximity of the magnetic atom, only the C atoms of one sublattice are visible at low bias potential and thus a triangular lattice can be seen, in agreement with recent experiments. Further away from the magnetic atom, the Kondo effect dies down and eventually both sublattices are visible, leading to the recovery of the hexagonal lattice. Furthermore, this work not only provides a new TB method to study the Kondo effect in graphene, but also presents both scanning tunneling spectroscopy and microscopy fingerprints of the Kondo effect to facilitate its experimental verification.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1524870

Journal Information:: 2D Materials, Vol. 6, Issue 3; ISSN 2053-1583

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Modeling the Kondo effect of a magnetic atom adsorbed on graphene

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