Self-Consistent Perturbation Theory for Thermodynamics of Magnetic Impurity Systems

Integral equations for thermodynamic quantities are derived in the framework of the non-crossing approximation (NCA). Entropy and specific heat of 4f contribution are calculated without numerical differentiations of thermodynamic potential. The formulation is applied to systems such as PrFe4P12 with singlet-triplet crystalline electric field (CEF) levels.Comment: 3 pages, 2 figures, proc. ASR-WYP-2005 (JAERI

The Hubbard Model at Infinite Dimensions: Thermodynamic and Transport Properties

We present results on thermodynamic quantities, resistivity and optical conductivity for the Hubbard model on a simple hypercubic lattice in infinite dimensions. Our results for the paramagnetic phase display the features expected from an intuitive analysis of the one-particle spectra and substantiate the similarity of the physics of the Hubbard model to those of heavy fermion systems. The calculations were performed using an approximate solution to the single-impurity Anderson model, which is the key quantity entering the solution of the Hubbard model in this limit. To establish the quality of this approximation we compare its results, together with those obtained from two other widely used methods, to essentially exact quantum Monte Carlo results.Comment: 29 pages, 16 figure

Adaptive optimization for OpenCL programs on embedded heterogeneous systems

Heterogeneous multi-core architectures consisting of CPUs and GPUs are commonplace in today’s embedded systems. These architectures offer potential for energy efficient computing if the application task is mapped to the right core. Realizing such potential is challenging due to the complex and evolving nature of hardware and applications. This paper presents an automatic approach to map OpenCL kernels onto heterogeneous multi-cores for a given optimization criterion – whether it is faster runtime, lower energy consumption or a trade-off between them. This is achieved by developing a machine learning based approach to predict which processor to use to run the OpenCL kernel and the host program, and at what frequency the processor should operate. Instead of hand-tuning a model for each optimization metric, we use machine learning to develop a unified framework that first automatically learns the optimization heuristic for each metric off-line, then uses the learned knowledge to schedule OpenCL kernels at runtime based on code and runtime information of the program. We apply our approach to a set of representative OpenCL benchmarks and evaluate it on an ARM big.LITTLE mobile platform. Our approach achieves over 93% of the performance delivered by a perfect predictor.We obtain, on average, 1.2x, 1.6x, and 1.8x improvement respectively for runtime, energy consumption and the energy delay product when compared to a comparative heterogeneous-aware OpenCL task mapping scheme

Conserving approximations in direct perturbation theory: new semianalytical impurity solvers and their application to general lattice problems

For the treatment of interacting electrons in crystal lattices approximations based on the picture of effective sites, coupled in a self-consistent fashion, have proven very useful. Particularly in the presence of strong local correlations, a local approach to the problem, combining a powerful method for the short ranged interactions with the lattice propagation part of the dynamics, determines the quality of results to a large extent. For a considerable time the non crossing approximation (NCA) in direct perturbation theory, an approach originally developed by Keiter for the Anderson impurity model, built a standard for the description of the local dynamics of interacting electrons. In the last couple of years exact methods like the numerical renormalization group (NRG) as pioneered by Wilson, have surpassed this approximation as regarding the description of the low energy regime. We present an improved approximation level of direct perturbation theory for finite Coulomb repulsion U, the crossing approximation one (CA1) and discuss its connections with other generalizations of NCA. CA1 incorporates all processes up to fourth order in the hybridization strength V in a self-consistent skeleton expansion, retaining the full energy dependence of the vertex functions. We reconstruct the local approach to the lattice problem from the point of view of cumulant perturbation theory in a very general way and discuss the proper use of impurity solvers for this purpose. Their reliability can be tested in applications to e.g. the Hubbard model and the Anderson-lattice model. We point out shortcomings of existing impurity solvers and improvements gained with CA1 in this context. This paper is dedicated to the memory of Hellmut Keiter.Comment: 45 pages, 22 figure

Dynamic susceptibilities of the single impurity Anderson model within an enhanced non-crossing approximation

The single impurity Anderson model (SIAM) is studied within an enhanced non-crossing approximation (ENCA). This method is extended to the calculation of susceptibilities and thoroughly tested, also in order to prepare applications as a building block for the calculation of susceptibilities and phase transitions in correlated lattice systems. A wide range of model parameters, such as impurity occupancy, temperature, local Coulomb repulsion and hybridization strength, are studied. Results for the spin and charge susceptibilities are presented. By comparing the static quantities to exact Bethe ansatz results, it is shown that the description of the magnetic excitations of the impurity within the ENCA is excellent, even in situations with large valence fluctuations or vanishing Coulomb repulsion. The description of the charge susceptibility is quite accurate in situations where the singly occupied ionic configuration is the unperturbed ground state; however, it seems to overestimate charge fluctuations in the asymmetric model at too low temperatures. The dynamic spin excitation spectra is dominated by the Kondo-screening of the impurity spin through the conduction band, i.e. the formation of the local Kondo-singlet. A finite local Coulomb interaction U leads to a drastic reduction of the charge response via processes involving the doubly occupied impurity state. In the asymmetric model, the charge susceptibility is enhanced for excitation energies smaller than the Kondo scale T_K due to the influence of valence fluctuations.Comment: 16 pages, 13 figure

Field-induced phase transitions in a Kondo insulator

We study the magnetic-field effect on a Kondo insulator by exploiting the periodic Anderson model with the Zeeman term. The analysis using dynamical mean field theory combined with quantum Monte Carlo simulations determines the detailed phase diagram at finite temperatures. At low temperatures, the magnetic field drives the Kondo insulator to a transverse antiferromagnetic phase, which further enters a polarized metallic phase at higher fields. The antiferromagnetic transition temperature $T_c$ takes a maximum when the Zeeman energy is nearly equal to the quasi-particle gap. In the paramagnetic phase above $T_c$, we find that the electron mass gets largest around the field where the quasi-particle gap is closed. It is also shown that the induced moment of conduction electrons changes its direction from antiparallel to parallel to the field.Comment: 7 pages, 6 figure

Investigation of the Two-Particle-Self-Consistent Theory for the Single-Impurity Anderson Model and an Extension to the Case of Strong Correlation

The two-particle-self-consistent theory is applied to the single-impurity Anderson model. It is found that it cannot reproduce the small energy scale in the strong correlation limit. A modified scheme to overcome this difficulty is proposed by introducing an appropriate vertex correction explicitly. Using the same vertex correction, the self-energy is investigated, and it is found that under certain assumptions it reproduces the result of the modified perturbation theory which interpolates the weak and the strong correlation limits.Comment: 5 pages, 7 figures, submitted to J. Phys. Soc. Jp

Heavy-Fermions in LiV2O4: Kondo-Compensation vs. Spin-Liquid Behavior?

7Li NMR measurements were performed in the metallic spinel LiV2O4. The temperature dependencies of the line width, the Knight shift and the spin-lattice relaxation rate were investigated in the temperature range 30 mK < T < 280 K. For temperatures T < 1 K we observe a spin-lattice relaxation rate which slows down exponentially. The NMR results can be explained by a spin-liquid behavior and the opening of a spin gap of the order 0.6 K

The Kondo Box: A Magnetic Impurity in an Ultrasmall Metallic Grain

We study the Kondo effect generated by a single magnetic impurity embedded in an ultrasmall metallic grain, to be called a ``Kondo box''. We find that the Kondo resonance is strongly affected when the mean level spacing in the grain becomes larger than the Kondo temperature, in a way that depends on the parity of the number of electrons on the grain. We show that the single-electron tunneling conductance through such a grain features Kondo-induced Fano-type resonances of measurable size, with an anomalous dependence on temperature and level spacing.Comment: 4 Latex pages, 4 figures, submitted to Phys. Rev. Let

Excitonic Bound State in the Extended Anderson Model with c-f Coulomb Interaction

The Anderson model with the Coulomb interaction between the local and conduction electrons is studied in the semiconducting phase. Based on a perturbation theory from the atomic limit, leading contributions for the c-f Coulomb interaction are incorporated as a vertex correction to hybridization. An analytical solution shows that the effective attraction in the intermediate states leads to a bound state localized at the local electron site. Self-consistent equations are constructed as an extension of the non-crossing approximation (NCA) to include the vertex part yielding the bound state. A numerical calculation demonstrates the excitonic bound state inside the semiconducting gap for single-particle excitations, and a discontinuity at the gap edge for magnetic excitations.Comment: 15 pages, 20 figures, submitted to J. Phys. Soc. Jp