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We present a mapping of correlated multi-impurity Anderson models to a cluster model coupled to a number of effective conduction bands capturing its essential low-energy physics. The major ingredient is the complex single-particle self energy matrix of the uncorrelated problem that encodes the influence to the host conduction band onto the dynamics of a set of correlated orbitals. While the real part of the self-energy matrix generates an effective hopping between the cluster orbitals, the imaginary part determines the coupling to the effective conduction bands in the mapped model. The rank of the imaginary part determines the number of independent screening channels of the problem, and allows the replacement of the phenomenological exhaustion criterion by a rigorous mathematical statement. This rank provides a distinction between multi-impurity models of first kind and of second kind. For the latter, there are insufficient screening channels available, so that a singlet ground state must be driven by the inter-cluster spin correlations. This classification provides a fundamental answer to the question of why ferromagnetic correlations between local moments are irrelevant for the spin compensated ground state in dilute impurity models, whereas they compete with the Kondo-scale in dense impurity arrays, without evoking a spin density wave. The low-temperature physics of three examples taken from the literature are deduced from the analytic structure of the mapped model, demonstrating the potential power of this approach. NRG calculations are presented for up to five site cluster. We investigate the appearance of frustration induced non-Fermi liquid fixed points in the trimer, and demonstrate the existence of several critical points of KT type at which ferromagnetic correlations suppress the screening of an additional effective spin-$1/2$ degree of freedom.

The continuous coupling function in quantum impurity problems is exactly partitioned into a part represented by a finite size Wilson chain and a part represented by a set of additional reservoirs, each coupled to one Wilson chain site. These additional reservoirs represent high-energy modes of the environment neglected by the numerical renormalization group and are required to restore the continuum limit of the original problem. We present a hybrid time-dependent numerical renormalization group approach which combines an accurate numerical renormalization group treatment of the non-equilibrium dynamics on the finite size Wilson chain with a Bloch-Redfield formalism to include the effect of these additional reservoirs. Our approach overcomes the intrinsic shortcoming of the time-dependent numerical renormalization group approach induced by the bath discretization with a Wilson parameter $\Lambda > 1$. We analytically prove that for a system with a single chemical potential, the thermal equilibrium reduced density operator is the steady-state solution of the Bloch-Redfield master equation. For the numerical solution of this master equation a Lanczos method is employed which couples all energy shells of the numerical renormalization group. The presented hybrid approach is applied to the real-time dynamics in correlated fermionic quantum-impurity systems. An analytical solution of the resonant-level model serves as a benchmark for the accuracy of the method which is then applied to non-trivial models, such as the interacting resonant-level model and the single impurity Anderson model., Comment: 27 papes, 18 figures

We analyze the ground-state energy, local spin correlation, impurity spin polarization, impurity-induced magnetization, and corresponding zero-field susceptibilities of the symmetric single-impurity Kondo model on a tight-binding chain with bandwidth $W=2{\cal D}$ and coupling strength $J_{\rm K}$. We compare perturbative results and variational upper bounds from Yosida, Gutzwiller, and first-order Lanczos wave functions to the numerically exact data obtained from the Density-Matrix Renormalization Group (DMRG) and from the Numerical Renormalization Group (NRG) methods. The Gutzwiller variational approach becomes exact in the strong-coupling limit and reproduces the ground-state properties from DMRG and NRG for large couplings. We calculate the impurity spin polarization and its susceptibility in the presence of magnetic fields that are applied globally/locally to the impurity spin. The Yosida wave function provides qualitatively correct results in the weak-coupling limit. In DMRG, chains with about $10^3$ sites are large enough to describe the susceptibilities down to $J_{\rm K}/{\cal D}\approx 0.5$. For smaller Kondo couplings, only the NRG provides reliable results for a general host-electron density of states $\rho_0(\epsilon)$. To compare with results from Bethe Ansatz, we study the impurity-induced magnetization and zero-field susceptibility. For small Kondo couplings, the zero-field susceptibilities at zero temperature approach $\chi_0(J_{\rm K}\ll {\cal D})/(g\mu_{\rm B})^2\approx \exp[1/(\rho_0(0)J_{\rm K})]/(2C{\cal D}\sqrt{\pi e \rho_0(0)J_{\rm K}})$, where $\ln(C)$ is the regularized first inverse moment of the density of states. Using NRG, we determine the universal sub-leading corrections up to second order in $\rho_0(0)J_{\rm K}$., Comment: 66 pages (26 pages main text, 12 pages appendices, 28 pages supplemental material), 23 figures

We study the conductance of a time-reversal symmetric helical electronic edge coupled antiferromagnetically to a magnetic impurity, employing analytical and numerical approaches. The impurity can reduce the perfect conductance $G_0$ of a noninteracting helical edge by generating a backscattered current. The backscattered steady-state current tends to vanish below the Kondo temperature $T_K$ for time-reversal symmetric setups. We show that the central role in maintaining the perfect conductance is played by a global $U(1)$ symmetry. This symmetry can be broken by an anisotropic exchange coupling of the helical modes to the local impurity. Such anisotropy, in general, dynamically vanishes during the renormalization group (RG) flow to the strong coupling limit at low-temperatures. The role of the anisotropic exchange coupling is further studied using the time-dependent Numerical Renormalization Group (TD-NRG) method, uniquely suitable for calculating out-of-equilibrium observables of strongly correlated setups. We investigate the role of finite bias voltage and temperature in cutting the RG flow before the isotropic strong-coupling fixed point is reached, extract the relevant energy scales and the manner in which the crossover from the weakly interacting regime to the strong-coupling backscattering-free screened regime is manifested. Most notably, we find that at low temperatures the conductance of the backscattering current follows a power-law behavior $G\sim (T/T_K)^2$, which we understand as a strong nonlinear effect due to time-reversal symmetry breaking by the finite-bias.

We present an extension of the tunneling theory for scanning tunneling microcopy (STM) to include different types of vibrational-electronic couplings responsible for inelastic contributions to the tunnel current in the strong-coupling limit. It allows for a better understanding of more complex scanning tunneling spectra of molecules on a metallic substrate in separating elastic and inelastic contributions. The starting point is the exact solution of the spectral functions for the electronic active local orbitals in the absence of the STM tip. This includes electron-phonon coupling in the coupled system comprising the molecule and the substrate to arbitrary order including the anti-adiabatic strong coupling regime as well as the Kondo effect on a free electron spin of the molecule. The tunneling current is derived in second order of the tunneling matrix element which is expanded in powers of the relevant vibrational displacements. We use the results of an ab-initio calculation for the single-particle electronic properties as an adapted material-specific input for a numerical renormalization group approach for accurately determining the electronic properties of a NTCDA molecule on Ag(111) as a challenging sample system for our theory. Our analysis shows that the mismatch between the ab-initio many-body calculation of the tunnel current in the absence of any electron-phonon coupling to the experiment scanning tunneling spectra can be resolved by including two mechanisms: (i) a strong unconventional Holstein term on the local substrate orbital leads to reduction of the Kondo temperature and (ii) a different electron-vibrational coupling to the tunneling matrix element is responsible for inelastic steps in the $dI/dV$ curve at finite frequencies., 34 pages, 26 figure

In normal metals, the magnetic-moment of impurity-spins disappears below a characteristic Kondo temperature, TK. This marks the formation of a polarized cloud of conduction band electrons that screen the magnetic moment . In contrast, moments embedded in insulators remain unscreened at all temperatures. This raises the question about the fate of magnetic-moments in intermediate, pseudogap systems, such as graphene. In these systems coupling between the local moment and the conduction band electrons is predicted to drive a quantum phase-transition between a local-moment phase and a Kondo-screened singlet phase as illustrated in Fig. 1A. However, attempts to experimentally confirm these predictions and their intriguing consequences such as the ability to electrostatically tune magnetic-moments, have been elusive. Here we report the observation of Kondo screening and the quantum phase-transition between screened and unscreened phases of vacancy magnetic-moments in graphene. Using scanning-tunneling-microscopy (STM), spectroscopy (STS) and numerical-renormalization-group (NRG) calculations, we identified Kondo-screening by its spectroscopic signature and mapped the quantum phase-transition as a function of coupling strength and chemical potential. We show that the coupling strength can be tuned across this transition by variations in the local curvature and furthermore that the transition makes it possible to turn the magnetic-moment on and off with a gate voltage., 28 pages 9 figures. arXiv admin note: substantial text overlap with arXiv:1711.06942

Spin noise spectroscopy has developed into a very powerful tool to access the electron spin dynamics. While the spin-noise power spectrum in an ensemble of quantum dots in a magnetic field is essentially understood, we argue that the investigation of the higher order cumulants promises to provide additional information not accessible by the conventional power noise spectrum. We present a quantum mechanical approach to the correlation function of the spin-noise power operators at two different frequencies for small spin bath sizes and compare the results with a simulation obtained from the classical spin dynamics for large number of nuclear spins. This bispectrum is defined as a two-dimensional frequency cut in the parameter space of the fourth-order spin correlation function. It reveals information on the influence of the nuclear-electric quadrupolar interactions on the long-time electron spin dynamics dominated by a magnetic field. For large bath sizes and spin lengths the quantum mechanical spectra converge to those of the classical simulations. The broadening of the bispectrum across the diagonal in the frequency space is a direct measure of the quadrupolar interaction strength. A narrowing is found with increasing magnetic field indicating a suppression of the influence of quadrupolar interactions in favor of the nuclear Zeeman effect., Comment: 15 pages, 14 figures

We study theoretically the electron spin noise in quantum dots under non-equilibrium conditions caused by the pumping by a train of circularly polarized optical pulses. In such a situation, the nuclear spins are known to adjust in such a way, that the electron spin precession frequencies become multiples of the pump pulse repetition frequency. This so called phase synchronization effect was uncovered in [Science {\bf 317}, 1896 (2007)] and termed nuclei-induced frequency focusing of electron spin coherence. Using the classical approach to the central spin model we evaluate the nuclear spin distribution function and the electron spin noise spectrum. We show that the electron spin noise spectrum consists of sharp peaks corresponding to the phase synchronization conditions and directly reveal the distribution of the nuclear spins. We discuss the effects of nuclear spin relaxation after the pumping is over and analyze the corresponding evolution of nuclear spin distributions and electron spin noise spectra., 8 pages, 5 figures

Periodic laser pulsing of singly charged semiconductor quantum dots in an external magnetic field leads to a synchronization of the spin dynamics with the optical excitation. The pumped electron spins partially rephase prior to each laser pulse, causing a revival of electron spin polarization with its maximum at the incidence time of a laser pulse. The amplitude of this revival is amplified by the frequency focusing of the surrounding nuclear spins. Two complementary theoretical approaches for simulating up to 20 million laser pulses are developed and employed that are able to bridge between 11 orders of magnitude in time: a fully quantum mechanical description limited to small nuclear bath sizes and a technique based on the classical equations of motion applicable for a large number of nuclear spins. We present experimental data of the nonmonotonic revival amplitude as function of the magnetic field applied perpendicular to the optical axis. The dependence of the revival amplitude on the external field with a profound minimum at $4\;$T is reproduced by both of our theoretical approaches and is ascribed to the nuclear Zeeman effect. Since the nuclear Larmor precession determines the electronic resonance condition, it also defines the number of electron spin revolutions between pump pulses, the orientation of the electron spin at the incidence time of a pump pulse, and the resulting revival amplitude. The magnetic field of $4\;$T, for example, corresponds to half a revolution of nuclear spins between two laser pulses., 21 pages, 16 figures

We investigate the equilibrium and real-time properties of the spin-correlation function $\ensuremath{\langle}{\stackrel{P\vec}{S}}_{1}{\stackrel{P\vec}{S}}_{2}\ensuremath{\rangle}$ in the two-impurity Kondo model for different distances $R$ between the two-impurity spins. It is shown that the competition between the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction and the Kondo effect governs the amplitude of $\ensuremath{\langle}{\stackrel{P\vec}{S}}_{1}{\stackrel{P\vec}{S}}_{2}\ensuremath{\rangle}$. For distances $R$ exceeding the Kondo length scale, the Kondo effect also has a profound effect on the sign of the correlation function. For ferromagnetic Heisenberg couplings $J$ between the impurities and the conduction band, the Kondo effect is absent and the correlation function only decays for distances beyond a certain length scale introduced by finite temperature. The real-time dynamics after a sudden quench of the system reveals that correlations propagate through the conduction band with Fermi velocity. We identify two distinct timescales for the long-time behavior, which reflects that for small $J$ the system is driven by the RKKY interaction while for large $J$ the Kondo effect dominates. Interestingly, we find that at certain distances a one-dimensional dispersion obeying $\ensuremath{\epsilon}(k)=\ensuremath{\epsilon}(\ensuremath{-}k)$ may lead to a local parity conservation of the impurities such that $\ensuremath{\langle}{\stackrel{P\vec}{S}}_{1}{\stackrel{P\vec}{S}}_{2}\ensuremath{\rangle}$ becomes a conserved quantity for long times and does not decay to its equilibrium value.

We study theoretically the spin fluctuations of nuclei in quantum dots. We employ the central spin model which accounts for the hyperfine interaction of the nuclei with the electron spin. We present an analytical solution in the frame of the box model approximation where all hyperfine coupling constants are assumed to be equal. These results are in good agreement with numerical simulations. We demonstrate that in rather high magnetic field the nuclear spin noise spectra has a two-peak structure centered at the nuclear Zeeman frequency with the shape of the spectrum controlled by the distribution of the hyperfine constants., 9 pages, 10 figures

We show that the RKKY interaction in the two-impurity Anderson model comprise two contributions: a ferromagnetic part stemming from the symmetrized hybridization functions and an anti-ferromagnetic part. We demonstrate that this anti-ferromagnetic contribution can also be generated by an effective local tunneling term between the two impurities. This tunneling can be analytically calculated for particle-hole symmetric impurities. Replacing the full hybridization functions by the symmetric part and this tunneling term leads to the identical low-temperature fixed point spectrum in the numerical renormalization group. Compensating this tunneling term is used to restore the Varma-Jones quantum critical point between a strong coupling phase and a local singlet phase even in the absence of particle-hole symmetry in the hybridization functions. We analytically investigate the spatial frequencies of the effective tunneling term based on the combination of the band dispersion and the shape of the Fermi surface. Numerical renormalization group calculations provide a comparison of the distance dependent tunneling term and the local spin-spin correlation function. Derivations between the spatial dependency of the full spin-spin correlation function and the textbook RKKY interaction are reported.

We present an investigation of the electron spin dynamics in an ensemble of singly charged semiconductor quantum dots subject to an external magnetic field and laser pumping with circularly polarized light. The spectral laser width is tailored such that ensembles with an increasing number of quantum dots are coherently pumped. Surprisingly, the dephasing time ${T}^{*}$ of the electron spin polarization depends only weakly on the laser spectral width. These findings can be consistently explained by a cluster theory of coupled quantum dots with a long-range electronic spin-spin interaction. We present a numerical simulation of the spin dynamics based on the central spin model that includes a quantum mechanical description of the laser pulses as well as a time-independent Heisenberg interaction between each pair of electron spins. We discuss the individual dephasing contributions stemming from the Overhauser field, the distribution of the electron $g$ factors, and the electronic spin-spin interaction as well as the spectral width of the laser pulse. This analysis reveals counterbalancing effects on the total dephasing time when increasing the spectral laser width. On one hand, the increasing deviations of the electron $g$ factors reduce the dephasing time. On the other hand, more electron spins are coherently pumped and synchronize due to the electronic spin-spin interaction which extends the dephasing time. We find an excellent agreement between the experimental data and the dephasing time in the simulation using an exponential distribution of Heisenberg couplings with a mean value $\overline{J}\ensuremath{\approx}0.26\phantom{\rule{0.16em}{0ex}}\ensuremath{\mu}\mathrm{eV}$.

We study the magnetic properties in the vicinity of a single carbon defect in a monolayer of graphene. We include the unbound $\sigma$ orbital and the vacancy induced bound $\pi$ state in an effective two-orbital single impurity model. The local magnetic moments are stabilized by the Coulomb interaction as well as a significant ferromagnetic Hund's rule coupling between the orbitals predicted by a density functional theory calculation. A hybridization between the orbitals and the Dirac fermions is generated by the curvature of the graphene sheet in the vicinity of the vacancy. We present results for the local spectral function calculated using Wilson's numerical renormalization group approach for a realistic graphene band structure and find three different regimes depending on the filling, the controlling chemical potential, and the hybridization strength. These different regions are characterized by different magnetic properties. The calculated spectral functions qualitatively agree with recent scanning tunneling spectra on graphene vacancies., Comment: 18 pages, 15 figures

Electron spin dephasing in a singly charged semiconductor quantum dot can partially be suppressed by periodic laser pulsing. We propose a semi-classical approach describing the decoherence of the electron spin polarization governed by the hyperfine interaction with the nuclear spins as well as the probabilistic nature of the photon absorption. We use the steady-state Floquet condition to analytically derive two subclasses of resonance conditions excellently predicting the peak locations in the part of the Overhauser field distribution which is projected in the direction of the external magnetic field. As a consequence of the periodic pulsing, a non-equilibrium distribution develops as a function of time. The numerical simulation of the coupled dynamics reveals the influence of the hyperfine coupling constant distribution onto the evolution of the electron spin polarisation before the next laser pulse. Experimental indications are provided for both subclasses of resonance conditions., Comment: 21 pages, 21 figures

The coherence of the electron spin in a semiconductor quantum dot is strongly enhanced by mode locking through nuclear focusing, where the synchronization of the electron spin to periodic pulsing is slowly transferred to the nuclear spins of the semiconductor material, mediated by the hyperfine interaction between these. The external magnetic field that drives the Larmor oscillations of the electron spin also subjects the nuclear spins to a Zeeman-like coupling, albeit a much weaker one. For typical magnetic fields used in experiments, the energy scale of the nuclear Zeeman effect is comparable to that of the hyperfine interaction, so that it is not negligible. In this work, we analyze the influence of the nuclear Zeeman effect on mode locking quantitatively. Within a perturbative framework, we calculate the Overhauser-field distribution after a prolonged period of pulsing. We find that the nuclear Zeeman effect can exchange resonant and non-resonant frequencies. We distinguish between models with a single type and with multiple types of nuclei. For the latter case, the positions of the resonances depend on the individual $g$ factors, rather than on the average value., 11 pages, 6 figures

We study the long-time decay of fourth-order electron spin correlation functions for an isolated singly charged semi-conductor quantum dot. The electron spin dynamics is governed by the applied external magnetic field as well as the hyperfine interaction. While the long-time coherent oscillations in the correlation functions can be understood within an semi-classical approach treating the Overhauser field as frozen, the field dependent decay of its amplitude reported in different experiments cannot be explained by the central-spin model indicating the insufficiency of such a description. By incorporating the nuclear Zeeman splitting and the strain induced nuclear-electric quadrupolar interaction, we find the correct crossover from a fast decay in small magnetic fields to a slow exponential asymptotic in large magnetic fields. It originates from a competition between the quadrupolar interaction inducing an enhanced spin decay and the nuclear Zeeman term that suppressed the spin-flip processes. We are able to explain the magnetic field dependency of the characteristic long-time decay time $T_2$ depending on the experimental setups. The calculated asymptotic values of $T_2 = 3 -4\,\mu$s agree qualitatively well with the experimental data., Comment: 13 pages, 9 figures

We show that the two-impurity Anderson model exhibits an additional quantum critical point at infinitely many specific distances between both impurities for an inversion symmetric one-dimensional dispersion. Unlike the quantum critical point previously established, it is robust against particle-hole or parity symmetry breaking. The quantum critical point separates a spin doublet from a spin singlet ground state and is, therefore, protected. A finite single-particle tunneling $t$ or an applied uniform gate voltage will drive the system across the quantum critical point. The discriminative magnetic properties of the different phases cause a jump in the spectral functions at low temperature, which might be useful for future spintronics devices. A local parity conservation will prevent the spin-spin correlation function from decaying to its equilibrium value after spin manipulations.

We employ density-functional theory (DFT) in the generalized gradient approximation (GGA) and its extensions GGA+$U$ and GGA+Gutzwiller to calculate the magnetic exchange couplings between pairs of Mn ions substituting Cd in a CdTe crystal at very small doping. DFT(GGA) overestimates the exchange couplings by a factor of three because it underestimates the charge-transfer gap in Mn-doped II-VI semiconductors. Fixing the nearest-neighbor coupling $J_1$ to its experimental value in GGA+$U$, in GGA+Gutzwiller, or by a simple scaling of the DFT(GGA) results provides acceptable values for the exchange couplings at 2nd, 3rd, and 4th neighbor distances in Cd(Mn)Te, Zn(Mn)Te, Zn(Mn)Se, and Zn(Mn)S. In particular, we recover the experimentally observed relation $J_4>J_2,J_3$. The filling of the Mn 3$d$-shell is not integer which puts the underlying Heisenberg description into question. However, using a few-ion toy model the picture of a slightly extended local moment emerges so that an integer $3d$-shell filling is not a prerequisite for equidistant magnetization plateaus, as seen in experiment., 12 pages, 10 figures

When constructing a Wilson chain to represent a quantum impurity model, the effects of truncated bath modes are neglected. We show that their influence can be kept track of systematically by constructing an "open Wilson chain" in which each site is coupled to a separate effective bath of its own. As a first application, we use the method to cure the so-called mass-flow problem that can arise when using standard Wilson chains to treat impurity models with asymmetric bath spectral functions at finite temperature. We demonstrate this for the strongly sub-Ohmic spin-boson model at quantum criticality where we directly observe the flow towards a Gaussian critical fixed point., 4 + 12 pages, 4 + 6 figures (published version)

Quantum dots in GaAs/InGaAs structures have been proposed as a candidate system for realizing quantum computing. The short coherence time of the electronic quantum state that arises from coupling to the nuclei of the substrate is dramatically increased if the system is subjected to a magnetic field and to repeated optical pulsing. This enhancement is due to mode locking: Oscillation frequencies resonant with the pulsing frequencies are enhanced, while off-resonant oscillations eventually die out. Because the resonant frequencies are determined by the pulsing frequency only, the system becomes immune to frequency shifts caused by the nuclear coupling and by slight variations between individual quantum dots. The effects remain even after the optical pulsing is terminated. In this work, we explore the phenomenon of mode locking from a quantum mechanical perspective. We treat the dynamics using the central spin model, which includes coupling to 10-20 nuclei and incoherent decay of the excited electronic state, in a perturbative framework. Using scaling arguments, we extrapolate our results to realistic system parameters. We find that the synchronization to the pulsing frequency needs time scales in the order of 1 s., 20.1 pages, including appendices; 7 figures; with Erratum and corrected Figs. 2 and 3

We employ the Gutzwiller variational approach to investigate the interplay of Coulomb interaction and spin-orbit coupling in a three-orbital Hubbard model. Already in the paramagnetic phase we find a substantial renormalization of the spin-orbit coupling that enters the effective single-particle Hamiltonian for the quasi-particles. Only close to half band-filling and for sizable Coulomb interaction we observe clear signatures of Hund's atomic rules for spin, orbital, and total angular momentum. For a finite local Hund's-rule exchange interaction we find a ferromagnetically ordered state. The spin-orbit coupling considerably reduces the size of the ordered moment, it generates a small ordered orbital moment, and it induces a magnetic anisotropy. To investigate the magnetic anisotropy energy, we use an external magnetic field that tilts the magnetic moment away from the easy axis $(1,1,1)$., Comment: 16 pages, 14 figures

The spin fluctuations of electron and hole doped self-assembled quantum dot ensembles are measured optically in the low-intensity limit of a probe laser in absence and presence of longitudinal or transverse static magnetic fields. The experimental results are modeled by two complementary approaches based either on semiclassical or quantum mechanical descriptions. This allows us to characterize the hyperfine interaction of electron and hole spins with the surrounding bath of nuclei on time scales covering several orders of magnitude. Our results demonstrate (i) the intrinsic precession of the electron spin fluctuations around the effective nuclear Overhauser field caused by the host lattice nuclear spins, (ii) the comparably long time scales for electron and hole spin decoherence, as well as (iii) the dramatic enhancement of the spin lifetimes induced by a longitudinal magnetic field due to the decoupling of nuclear and charge carrier spins., 16 pages, 9 figures

Decoherence of a central spin coupled to an interacting spin bath via inhomogeneous Heisenberg coupling is studied by two different approaches, namely an exact equations of motion (EOMs) method and a Chebyshev expansion technique (CET). By assuming a wheel topology of the bath spins with uniform nearest-neighbor $XX$-type intrabath coupling, we examine the central spin dynamics with the bath prepared in two different types of bath initial conditions. For fully polarized baths in strong magnetic fields, the polarization dynamics of the central spin exhibits a collapse-revival behavior in the intermediate-time regime. Under an antiferromagnetic bath initial condition, the two methods give excellently consistent central spin decoherence dynamics for finite-size baths of $N\leq14$ bath spins. The decoherence factor is found to drop off abruptly on a short time scale and approach a finite plateau value which depends on the intrabath coupling strength non-monotonically. In the ultrastrong intrabath coupling regime, the plateau values show an oscillatory behavior depending on whether $N/2$ is even or odd. The observed results are interpreted qualitatively within the framework of the EOM and perturbation analysis. The effects of anisotropic spin-bath coupling and inhomogeneous intrabath bath couplings are briefly discussed. Possible experimental realization of the model in a modified quantum corral setup is suggested., 11 pages, 7 figures, to appear in Phys. Rev. B

CeNi 9 Ge 4 exhibits unusual non-Fermi liquid behavior with the largest ever recorded value of the electronic specific heat Δ C / T ≅ 5.5 J K - 2 mol - 1 without showing any evidence of magnetic order. Specific heat measurements show that the logarithmic increase of the Sommerfeld coefficient flattens off below 200 mK. In marked contrast, the local susceptibility Δ χ levels off well above 200 mK and already becomes constant below 1 K. Furthermore, the entropy reaches 2 R ln 2 below 20 K corresponding to a four-level system. An analysis of C and χ was performed in terms of an SU ( N = 4 ) single impurity Anderson model with additional crystal electric field (CEF) splitting. Numerical renormalization group calculations point to a possible consistent description of the different low-temperature scales in Δ c and Δ χ stemming from the interplay of Kondo effect and crystal field splitting.

We investigate the influence of spin-orbit coupling on the Kondo effects in carbon nanotube quantum dots, using the numerical renormalization group technique. A sufficiently large spin-orbit coupling is shown to destroy the SU(4) Kondo effects at zero magnetic field, leaving only two SU(2) Kondo effects in the one- and three-electron Coulomb blockade valleys. On applying a finite magnetic field, two additional, spin-orbit induced SU(2) Kondo effects arise in the three- and two-electron valleys. Using physically realistic model parameters, we calculate the differential conductance over a range of gate voltages, temperatures and fields. The results agree well with measurements from two different experimental devices in the literature, and explain a number of observations that are not described within the standard framework of the SU(4) Anderson impurity model., Comment: 15 pages, 11 figures

The influence of substitutional disorder on the transport properties of heavy-fermion systems is investigated. We extend the dynamical mean-field theory treatment of the periodic Anderson model (PAM) to a coherent-potential approximation for disordered strongly correlated electron systems. Considering two distinct local environments of a binary alloy $A_c B_{1-c}$ with arbitrary concentration $c$, we explore two types of disorder: on the f site and on the ligand sites. We calculate the spectral functions and self-energies for the disordered PAM as well as the temperature dependence of the resistivity and the thermoelectric power. The characteristic concentration dependence as well as the order of magnitude of transport properties are reproduced for metallic heavy-fermion systems and Kondo insulators. In particular, sign changes of the Seebeck coefficient as function of temperature and concentration are observed., 17 pages, 22 figures, published version

We present numerical renormalization group calculations for the zero-bias conductance of quantum dots made from semiconducting carbon nanotubes. These explain and reproduce the thermal evolution of the conductance for different groups of orbitals, as the dot-lead tunnel coupling is varied and the system evolves from correlated Kondo behavior to more weakly correlated regimes. For integer fillings $N=1,2,3$ of an SU(4) model, we find universal scaling behavior of the conductance that is distinct from the standard SU(2) universal conductance, and concurs quantitatively with experiment. Our results also agree qualitatively with experimental differential conductance maps., Comment: 4 pages, 5 figures

We study the spin-1/2 single-channel Anderson impurity model with correlated (occupancy dependent) hybridization for molecular transistors using the numerical renormalization-group method. Correlated hybridization can induce nonuniversal deviations in the normalized zero-bias conductance and, for some parameters, modestly enhance the spin polarization of currents in applied magnetic field. Correlated hybridization can also explain a gate-voltage dependence to the Kondo scale similar to what has been observed in recent experiments., 4 pages, 5 figures

We present a novel technique for the calculation of dynamical correlation functions of quantum impurity systems in equilibrium with Wilson's numerical renormalization group. Our formulation is based on a complete basis set of the Wilson chain. In contrast to all previous methods, it does not suffer from overcounting of excitation. By construction, it always fulfills sum rules for spectral functions. Furthermore, it accurately reproduces local thermodynamic expectation values, such as occupancy and magnetization, obtained directly from the numerical renormalization group calculations., Comment: 13 pages, 7 figure

The recently reported unusual behavior of the static and dynamical magnetic susceptibility as well as the specific heat in Ce$_{1-x}$La$_{x}$Ni$_{9}$Ge$_4$ has raised the question of a possible non-Fermi liquid ground state in this material. We argue that for a consistent physical picture the crystal field splitting of two low lying magnetic doublets of the Ce $4f$-shell must be taken into account. Furthermore, we show that for a splitting of the order of the low temperature scale $T^*$ of the system a crossover behavior between an SU(4) and an SU(2) Kondo effect is found. The screening of the two doublets occurs on different temperature scales leading to a different behavior of the magnetic susceptibility and the specific heat at low temperatures. The experimentally accessible temperature regime down to 50mK still lies in the extended crossover regime into a strong coupling Fermi-liquid fixed point., Comment: 4 pages, 4 figures, revtex4

Heavy fermion systems (HFS) are described by the periodic Anderson model (PAM), which is studied within the dynamical mean-field theory (DMFT), mapping the PAM on an effective single-impurity Anderson model (SIAM) to be determined selfconsistently, which becomes exact in the limit of high spatial dimensions, d → ∞. We use the modified perturbation theory (MPT) as approximation for the effective SIAM. The MPT is exact up to second order in the Coulomb correlation U and simultaneously reproduces the exact results for the atomic limit and the lowest moments. Within this approximation we have calculated the temperature dependence of the resistivity, the thermopower and the frequency and temperature dependence of the dynamical conductivity. For all these quantities the typical HFS-behavior is qualitatively well reproduced within our treatment.

We use different numerical approaches to calculate the double occupancy and mag- netic susceptibility as a function of a bias voltage in an Anderson impurity model. Specifically, we compare results from the Matsubara-voltage quantum Monte-Carlo approach (MV-QMC), the scattering-states numerical renormalization group (SNRG), and real-time quantum Monte-Carlo (RT-QMC), covering Coulomb repulsions ranging from the weak-coupling well into the strong- coupling regime. We observe a distinctly different behavior of the double occupancy and the magnetic response. The former measures charge fluctuations and thus only indirectly exhibits the Kondo scale, while the latter exhibits structures on the scale of the equilibrium Kondo tempera- ture. The Matsubara-voltage approach and the scattering-states numerical renormalization group yield consistent values for the magnetic susceptibility in the Kondo limit. On the other hand, all three numerical methods produce different results for the behavior of charge fluctuations in strongly interacting dots out of equilibrium., Comment: 6 pages, 4 figures

The paramagnetic phase of the two-channel Kondo lattice model is examined with a Quantum Monte Carlo simulation in the limit of infinite dimensions. We find non-Fermi-liquid behavior at low temperatures including a finite low-temperature single-particle scattering rate, no Fermi distribution discontinuity, and zero Drude weight. Both the optical and quasiparticle mass enhancement and scattering relaxation rate show consistent evidence of non-fermi liquid behavior. However, the low-energy density of electronic states is finite., 5 pages, LaTeX and 4 PS figures