Generalized Anderson Impurity Model Research Articles

Fully compensated Kondo effect for a two-channel spin S=1 impurity

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 numerical renormalization group and the non-crossing approximation, we analyze the impurity entropy, its spectral density, and the equilibrium conductance for several values of the model parameters. Marked differences with respect to the conventional one-channel spin $s=1/2$ Anderson model, that can be traced as hallmarks of an impurity spin $S=1$, are found in the Kondo temperature, the width and position of the charge transfer peak, as well as the temperature dependence of the equilibrium conductance. Furthermore, we analyze the rich effects of a single-ion magnetic anisotropy $D$ on the Kondo behavior. In particular, as shown before, for large enough positive $D$ the system behaves as a "non-Landau" Fermi liquid that cannot be adiabatically connected to a non-interacting system turning off the interactions. For negative $D$ the Kondo effect is strongly suppressed. The model studied is suitable for a comprehensive analysis for recent investigations of a single Ni impurity embedded into an Au chain.

Kondo effect in a PT -symmetric non-Hermitian Hamiltonian

The combination of non-Hermitian physics and strong correlations can give rise to new effects in open quantum many-body systems with balanced gain and loss. We propose a generalized Anderson impurity model that includes non-Hermitian hopping terms between an embedded quantum dot and two wires. These non-Hermitian hopping terms respect a parity-time ($\mathcal{PT}$) symmetry. In the regime of a singly occupied localized state, we map the problem to a $\mathcal{PT}$-symmetric Kondo model and study the effects of the interactions using a perturbative renormalization group approach. We find that the Kondo effect persists if the couplings are below a critical value that corresponds to an exceptional point of the non-Hermitian Kondo interaction. On the other hand, in the regime of spontaneously broken $\mathcal{PT}$ symmetry, the Kondo effect is suppressed and the low-energy properties are governed by a local-moment fixed point with vanishing conductance.

Magnetic impurities in nanotubes: From density functional theory to Kondo many-body effects

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 relationship between contact geometry and electronic structure requires a quantitative ab initio approach such as density functional theory (DFT), the Kondo many-body effects ensuing from the coupling of the impurity spin with metal electrons are most properly addressed by formulating a generalized Anderson impurity model to be solved with, for example, the numerical renormalization group (NRG) method. Since there is at present no seamless scheme that can accurately carry out that program, we have in recent years designed a systematic method for semiquantitatively joining DFT and NRG. We apply this DFT-NRG scheme to the ideal conductance of single wall (4,4) and (8,8) nanotubes with magnetic adatoms (Co and Fe), both inside and outside the nanotube, and with a single carbon atom vacancy. A rich scenario emerges, with Kondo temperatures generally in the Kelvin range, and conductance anomalies ranging from a single channel maximum to destructive Fano interference with cancellation of two channels out of the total four. The configuration yielding the highest Kondo temperature (tens of Kelvins) and a measurable zero-bias anomaly is that of a Co or Fe impurity inside the narrowest nanotube. The single atom vacancy has a spin, but a very low Kondo temperature is predicted. The geometric, electronic, and symmetry factors influencing this variability are all accessible, which makes this approach methodologically instructive and highlights many delicate and difficult points in the first-principles modeling of the Kondo effect in nanocontacts.

ChemInform Abstract: Strong Correlations in Actinide Redox Reactions

AbstractReview: 63 refs.

Strong correlations in actinide redox reactions

Reduction-oxidation (redox) reactions of the redox couples An(VI)/An(V), An(V)/An(IV), and An(IV)/An(III), where An is an element in the family of early actinides (U, Np, and Pu), as well as Am(VI)/Am(V) and Am(V)/Am(III), are modeled by combining density functional theory with a generalized Anderson impurity model that accounts for the strong correlations between the 5f electrons. Diagonalization of the Anderson impurity model yields improved estimates for the redox potentials and the propensity of the actinide complexes to disproportionate.

Simultaneous ferromagnetic and semiconductor–metal transition in EuO

We develop a theory for the simultaneous para-to-ferromagnetic and semiconductor to metal transition in O-depleted EuO. An analysis of the total charge conservation across the transition indicates that strong Coulomb correlations in the localized O-defect states must play a crucial role. This leads to a generalized Anderson impurity model with Stoner-like magnetic correlations in the conduction band and a dilute concentration of Anderson impurities in the semiconducting gap. We solve this model using the non-crossing approximation and can explain the simultaneous phase transitions in a natural way.

From Fermi-liquid-like to non-Fermi-liquid behavior of the generalized Anderson impurity model: The Bethe-ansatz solution

The exact solution for the generalized Anderson impurity model is presented. Here localized electrons interact in the shell via a Hubbard-like repulsion and Hund's rule exchange interaction. An impurity reveals, in general, a mixed-valent behavior. Depending on the relative position of the impurity level and the strengths of Hubbard like and Hund's couplings, an impurity can reveal either a Fermi-liquid-like or non-Fermi-liquid-like behavior. The competition between characteristics of in-shell Coulomb interactions can produce a behavior similar to the channel-anisotropic multichannel Kondo situation, which is responsible for the non-Fermi-liquid physics of the model. Similar conclusions can be made for a two-impurity Kondo model.

Non-Fermi liquids in the extended Hubbard model

I summarize recent work on non-Fermi liquids within a certain generalized Anderson impurity model as well as in the large-dimensionality (D) limit of the two-band extended Hubbard model. The competition between local charge and spin fluctuations leads either to a Fermi liquid with renormalized quasiparticle excitations, or to non-Fermi liquids with spin - charge separation. These results provide new insights into the phenomenological similarities and differences between different correlated metals. While presenting these results, I outline a general strategy of local approach to non-Fermi liquids in correlated electron systems.

Toulouse points and non-Fermi-liquid states in the mixed-valence regime of the generalized Anderson model.

We study the mixed valence regime of a generalized Anderson impurity model using the bosonization approach. This single impurity problem is defined by the $U=\infty$ Anderson model with an additional density-density interaction, as well as an explicit exchange interaction, between the impurity and conduction electrons. We find three points in the interaction parameter space at which all the correlation functions can be calculated explicitly. These points represent the mixed valence counterparts of the ususal Toulouse point for the Kondo problem, and are appropriately named the Toulouse points of the mixed valence problem. Two of the Toulouse points exhibit the strong coupling, Fermi liquid behavior. The third one shows spin-charge separation; here, the spin-spin correlation functions are Fermi-liquid-like, the charge-charge correlation functions and the single particle Green function have non-Fermi-liquid behaviors, and a pairing correlation function is enhanced compared to the Fermi liquid case. This third Toulouse point describes the novel intermediate mixed valence phase we have previously identified. In deriving these results, we emphasize the importance of keeping track of the anticommutation relation between the fermion fields when the bosonization method is applied to quantum impurity problems.

Quantum chemistry, anomalous dimensions, and the breakdown of Fermi liquid theory in strongly correlated systems

We formulate a local picture of strongly correlated systems as a Feynman sum over atomic configurations. The hopping amplitudes between these atomic configurations are identified as the renormalization group charges, which describe the local physics at different energy scales. For a metallic system away from half-filling, the fixed point local Hamiltonian is a generalized Anderson impurity model in the mixed valence regime. There are three types of fixed points: a coherent Fermi liquid (FL) and two classes of self-similar (scale invariant) phases which we denote incoherent metallic states (IMS). When the transitions between the atomic configurations proceed coherently at low energies, the system is a Fermi liquid. Incoherent transitions between the low energy atomic configurations characterize the incoherent metallic states. The initial conditions for the renormalization group flow are determined by the physics at rather high energy scales. This is the domain of local quantum chemistry. We use simple quantum chemistry estimates to specify the basin of attraction of the IMS fixed points.