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Register a new userSpin susceptibility of Anderson impurities in arbitrary conduction bands
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Spin susceptibility of Anderson impurities is a key quantity in understanding the physics of Kondo screening. Traditional numerical renormalization group (NRG) calculation of the impurity contribution $chi_{textrm{imp}}$ to susceptibility, defined originally by Wilson in a flat wide band, has been generalized before to structured conduction bands. The results brought about non-Fermi-liquid and diamagnetic Kondo behaviors in $chi_{textrm{imp}}$, even when the bands are not gapped at the Fermi energy. Here, we use the full density-matrix (FDM) NRG to present high-quality data for the local susceptibility $chi_{textrm{loc}}$ and to compare them with $chi_{textrm{imp}}$ obtained by the traditional NRG. Our results indicate that those exotic behaviors observed in $chi_{textrm{imp}}$ are unphysical. Instead, the low-energy excitations of the impurity in arbitrary bands only without gap at the Fermi energy are still a Fermi liquid and paramagnetic. We also demonstrate that unlike the traditional NRG yielding $chi_{textrm{loc}}$ less accurate than $chi_{textrm{imp}}$, the FDM method allows a high-precision dynamical calculation of $chi_{textrm{loc}}$ at much reduced computational cost, with an accuracy at least one order higher than $chi_{textrm{imp}}$. Moreover, artifacts in the FDM algorithm to $chi_{textrm{imp}}$, and origins of the spurious non-Fermi-liquid and diamagnetic features are clarified. Our work provides an efficient high-precision algorithm to calculate the spin susceptibility of impurity for arbitrary structured bands, while negating the applicability of Wilsons definition to such cases.
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The NMR relaxation rate and the static spin susceptibility in graphene are studied within a tight-binding description. At half filling, the NMR relaxation rate follows a power law as $T^2$ on the particle-hole symmetric side, while with a finite chemical potential $mu$ and next-nearest neighbor $t$, the $(mu+3t)^2$ terms dominate at low excess charge $delta$. The static spin susceptibility is linearly dependent on temperature $T$ at half filling when $t=0$, while with a finite $mu$ and $t$, it should be dominated by $(mu+3t)$ terms in low energy regime. These unusual phenomena are direct results of the low energy excitations of graphene, which behave as massless Dirac fermions. Furthermore, when $delta$ is high enough, there is a pronounced crossover which divides the temperature dependence of the NMR relaxation rate and the static spin susceptibility into two temperature regimes: the NMR relaxation rate and the static spin susceptibility increase dramatically as temperature increases in the low temperature regime, and after the crossover, both decrease as temperature increases at high temperatures. This crossover is due to the well-known logarithmic Van Hove singularity in the density of states, and its position dependence of temperature is sensitive to $delta$.
We exploit the decoherence of electrons due to magnetic impurities, studied via weak localization, to resolve a longstanding question concerning the classic Kondo systems of Fe impurities in the noble metals gold and silver: which Kondo-type model yields a realistic description of the relevant multiple bands, spin and orbital degrees of freedom? Previous studies suggest a fully screened spin $S$ Kondo model, but the value of $S$ remained ambiguous. We perform density functional theory calculations that suggest $S = 3/2$. We also compare previous and new measurements of both the resistivity and decoherence rate in quasi 1-dimensional wires to numerical renormalization group predictions for $S=1/2,1$ and 3/2, finding excellent agreement for $S=3/2$.
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 numerical renormalization group approach of Lucignano textit{et al.} to Co and Fe impurities in (4,4) and (8,8) nanotubes, we discover a huge difference of behaviour between outside versus inside adsorption of the impurity. The predicted Kondo temperatures and zero bias anomalies, tiny outside the nanotube, turn large and strongly radius dependent inside, owing to a change of symmetry of the magnetic orbital. Observation of this Kondo effect should open the way to a host of future experiments.
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 inaccessible for the special case of half-filled impurities in neutral armchair CNTs, the system in general can undergo quantum phase transitions to the Kondo ground state. The resultant position-specific phase diagrams are investigated upon variation of the CNT radius, chirality, and carrier doping, revealing several striking features, e.g., the existence of a maximal radius for nonarmchair CNTs to realize phase transitions, and an interference-induced suppression of the Kondo screening. We show that by tuning the Fermi energy via electrostatic gating, the quantum critical region can be experimentally accessed.
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.
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