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The effect of magnetic impurities on the ballistic conductance of nanocontacts is, as suggested in recent work, amenable to ab initio study cite{naturemat}. Our method proceeds via a conventional density functional calculation of spin and symmetry dependent electron scattering phase shifts, followed by the subsequent numerical renormalization group solution of Anderson models -- whose ingredients and parameters are chosen so as to reproduce these phase shifts. We apply this method to investigate the Kondo zero bias anomalies that would be caused in the ballistic conductance of perfect metallic (4,4) and (8,8) single wall carbon nanotubes, ideally connected to leads at the two ends, by externally adsorbed Co and Fe adatoms. The different spin and electronic structure of these impurities are predicted to lead to a variety of Kondo temperatures, generally well below 10 K, and to interference between channels leading to Fano-like conductance minima at zero bias.
We propose carbon nanotubes (CNTs) with magnetic impurities as a versatile platform to achieve unconventional Kondo physics, where the CNT bath is gapped by the spin-orbit interaction and surface curvature. While the strong-coupling phase is inaccess
Transition metal impurities will yield zero bias anomalies in the conductance of well contacted metallic carbon nanotubes, but Kondo temperatures and geometry dependences have not been anticipated so far. Applying the density functional plus numerica
Low-temperature electronic conductance in nanocontacts, scanning tunneling microscopy (STM), and metal break junctions involving magnetic atoms or molecules is a growing area with important unsolved theoretical problems. While the detailed relationsh
We show that the paradigmatic Ruderman-Kittel-Kasuya-Yosida (RKKY) description of two local magnetic moments coupled to propagating electrons breaks down in helical Luttinger Liquids when the electron interaction is stronger than some critical value.
We investigate the many-body effects of a magnetic adatom in ferromagnetic graphene by using the numerical renormalization group method. The nontrivial band dispersion of ferromagnetic graphene gives rise to interesting Kondo physics different from t