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Register a new userAttraction-repulsion transition in the interaction of adatoms and vacancies in graphene
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The interaction of two resonant impurities in graphene has been predicted to have a long-range character with weaker repulsion when the two adatoms reside on the same sublattice and stronger attraction when they are on different sublattices. We reveal that this attraction results from a single energy level. This opens up a possibility of controlling the sign of the impurity interaction via the adjustment of the chemical potential. For many randomly distributed impurities (adatoms or vacancies) this may offer a way to achieve a controlled transition from aggregation to dispersion.
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We investigate the electronic and magnetic properties of single Fe, Co, and Ni atoms and clusters on monolayer graphene (MLG) on SiC(0001) by means of scanning tunneling microscopy (STM), x-ray absorption spectroscopy, x-ray magnetic circular dichroism (XMCD), and ab initio calculations. STM reveals different adsorption sites for Ni and Co adatoms. XMCD proves Fe and Co adatoms to be paramagnetic and to exhibit an out-of-plane easy axis in agreement with theory. In contrast, we experimentally find a nonmagnetic ground state for Ni monomers while an increasing cluster size leads to sizeable magnetic moments. These observations are well reproduced by our calculations and reveal the importance of hybridization effects and intra-atomic charge transfer for the properties of adatoms and clusters on MLG.
Resonant graphene dopants, such as hydrogen adatoms, experience long-range effective interaction mediated by conduction electrons. As a result of this interaction, when several adatoms are present in the sample, hopping of adatoms between sites belonging to different sublattices involves significant energy changes. Different inelastic mechanisms facilitating such hopping -- coupling to phonons and conduction electrons -- are considered. It is estimated that the diffusion of hydrogen adatoms is rather slow, amounting to roughly one hop to a nearest neighbor per millisecond.
In this paper, we describe the formation of local resonances in graphene in the presence of magnetic adatoms containing localized orbitals of arbitrary symmetry, corresponding to any given angular momentum state. We show that quantum interference effects which are naturally inbuilt in the honeycomb lattice in combination with the specific orbital symmetry of the localized state lead to the formation of fingerprints in differential conductance curves. In the presence of Jahn-Teller distortion effects, which lift the orbital degeneracy of the adatoms, the orbital symmetries can lead to distinctive signatures in the local density of states. We show that those effects allow scanning tunneling probes to characterize adatoms and defects in graphene.
In this work the Casimir{Polder interaction energy between a rubidium atom and a disordered graphene sheet is investigated beyond the Dirac cone approximation by means of accurate real-space calculations. As a model of defected graphene, we consider a tight-binding model of Pi-electrons on a honeycomb lattice with a small concentration of point defects. The optical response of the graphene sheet is evaluated with full spectral resolution by means of exact Chebyshev polynomial expansions of the Kubo formula in large lattices with in excess of ten million atoms. At low temperatures, the optical response of defected graphene is found to display two qualitatively distinct behavior with a clear transition around non-zero Fermi energy, mu~mu*. In the vicinity of the Dirac point, the imaginary part of optical conductivity is negative for low frequencies while the real part is strongly suppressed. On the other hand, for high doping, it has the same features found in the Drude model within the Dirac cone approximation, namely, a Drude peak at small frequencies and a change of sign in the imaginary part above the interband threshold omega > 2mu. These characteristics translate into a non-monotonic behavior of the Casimir{Polder interaction energy with very small variation with doping in the vicinity of the neutrality point while having the same form of the interaction calculated with Drudes model at high electronic density.
The effect of electronic interactions in graphene with vacancies or resonant scatterers is investigated. We apply dynamical mean-field theory in combination with quantum Monte Carlo simulations, which allow us to treat non-perturbatively quantum fluctuations beyond Hartree-Fock approximations. The interactions narrow the width of the resonance and induce a Curie magnetic susceptibility, signaling the formation of local moments. The absence of saturation of the susceptibility at low temperatures suggests that the coupling between the local moment and the conduction electrons is ferromagnetic.
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