Related papers: From density functional to Kondo: magnetic impurit…
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…
The electrical conductance of atomic metal contacts represents a powerful tool to detect nanomagnetism. Conductance reflects magnetism through anomalies at zero bias -- generally with Fano lineshapes -- due to the Kondo screening of the…
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…
We study the impact of dynamical correlations on the electronic structure and coherent transport properties of Cu nanocontacts hosting a single magnetic impurity (Ni,Co,Fe) in the contact region. The strong dynamical correlations of the…
Stable organic radicals integrated into molecular junctions represent a practical realization of the single-orbital Anderson impurity model. Motivated by recent experiments for perchlorotriphenylmethyl (PTM) molecules contacted to gold…
Molecular contacts are generally poorly conducting because their energy levels tend to lie far from the Fermi energy of the metal contact, necessitating undesirably large gate and bias voltages in molecular electronics applications.…
The connection of electrical leads to wire-like molecules is a logical step in the development of molecular electronics, but also allows studies of fundamental physics. For example, metallic carbon nanotubes are quantum wires that have been…
We demonstrate that the zero-temperature conductance of the Anderson model can be calculated within the Landauer formalism combined with static density functional theory (DFT). The proposed approximate functional is based on…
By introducing a normal self-energy to incorporate the effects of magnetic impurities, Kondo effects in single-walled metallic carbon nanotubes are investigated within the Anderson model and Landauer formula. Magnetic impurities induce…
Using numerical renormalization group techniques, we study static and dynamic properties of a family of single-channel Kondo impurity models with axial magnetic anisotropy $DS_z^2$ terms; such models are appropriate to describe magnetic…
We study the low-temperature properties of the generalized Anderson impurity model in which two localized configurations, one with two doublets and the other with a triplet, are mixed by two degenerate conduction channels. By using the…
In this paper I give a detailed account of an ab initio methodology for describing strong electronic correlations in nanoscale devices hosting transition metal atoms with open $d$- or $f$-shells. The method combines Kohn-Sham Density…
We study the Kondo screening of a magnetic impurity adsorbed in graphene in the presence of Rashba spin-orbit interaction. The system is described by an effective single-channel Anderson impurity model, which we analyze using the numerical…
Magnetic impurity effects in carbon nanotubes are studied theoretically. The multi channel Kondo effect is investigated with the band structure of the metallic nanotubes. The local non-Fermi liquid behavior is realized at temperatures lower…
The Kondo effect may develop in those cases where there are non-commuting operators describing the interaction between the conduction electrons and impurities or defects with internal degrees of freedom. This interaction may involve spin or…
We study the low-temperature thermodynamics of a spin-S magnetic impurity coupled to m degenerate bands of interacting electrons in one dimension. By exploiting boundary conformal field theory techniques, we derive exact results for the…
A detailed analysis of the Kondo effect of a magnetic impurity in a zigzag graphene nanoribbon is addressed. An adatom is coupled to the graphene nanoribbon via a hybridization amplitude $\Gamma_{imp}$ in a hollow or top site configuration.…
We use holography to study a $(1+1)$-dimensional Conformal Field Theory (CFT) coupled to an impurity. The CFT is an $SU(N)$ gauge theory at large $N$, with strong gauge interactions. The impurity is an $SU(N)$ spin. We trigger an impurity…
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…
Magnetic impurity effects on metallic carbon nanotubes are studied theoretically. The resolvent method for the multi channel Kondo effect is applied to the band structure of the kp perturbation hamiltonian in the limit of the infinite…