Band Calculation for Ce-compounds on the basis of Dynamical Mean Field Theory

The band calculation scheme for $f$ electron compounds is developed on the basis of the dynamical mean field theory (DMFT) and the LMTO method. The auxiliary impurity problem is solved by a method named as NCA$f^{2}$v', which includes the correct exchange process of the $f^{1} \to f^{2}$ virtual excitation as the vertex correction to the non-crossing approximation (NCA) for the $f^{1} \to f^{0}$ fluctuation. This method leads to the correct magnitude of the Kondo temperature, $T_{\rm K}$, and makes it possible to carry out quantitative DMFT calculation including the crystalline field (CF) and the spin-orbit (SO) splitting of the self-energy. The magnetic excitation spectra are also calculated to estimate $T_{\rm K}$. It is applied to Ce metal and CeSb at T=300 K as the first step. In Ce metal, the hybridization intensity (HI) just below the Fermi energy is reduced in the DMFT band. The photo-emission spectra (PES) have a conspicuous SO side peak, similar to that of experiments. $T_{\rm K}$ is estimated to be about 70 K in $\gamma$-Ce, while to be about 1700 K in $\alpha$-Ce. In CeSb, the double-peak-like structure of PES is reproduced. In addition, $T_{\rm K}$ which is not so low is obtained because HI is enhanced just at the Fermi energy in the DMFT band.Comment: 30pages, 18 figure

Halochromic polystyrene nanofibers obtained by solution blow spinning for wine pH sensing.

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Relation between Barrier Conductance and Coulomb Blockade Peak Splitting for Tunnel-Coupled Quantum Dots

We study the relation between the barrier conductance and the Coulomb blockade peak splitting for two electrostatically equivalent dots connected by tunneling channels with bandwidths much larger than the dot charging energies. We note that this problem is equivalent to a well-known single-dot problem and present solutions for the relation between peak splitting and barrier conductance in both the weak and strong coupling limits. Results are in good qualitative agreement with the experimental findings of F. R. Waugh et al.Comment: 19 pages (REVTeX 3.0), 3 Postscript figure

Transport Coefficients of the Anderson Model via the Numerical Renormalization Group

The transport coefficients of the Anderson model are calculated by extending Wilson's NRG method to finite temperature Green's functions. Accurate results for the frequency and temperature dependence of the single--particle spectral densities and transport time $\tau(\omega,T)$ are obtained and used to extract the temperature dependence of the transport coefficients in the strong correlation limit. The low temperature anomalies in the resistivity, $\rho(T)$, thermopower, $S(T)$, thermal conductivity $\kappa(T)$ and Hall coefficient, $R_{H}(T)$, are discussed. All quantities exhibit the expected Fermi liquid behaviour at low temperature with power law dependecies on $T/T_{K}$ in very good agreement with analytic results based on Fermi liquid theory. Scattering of conduction electrons in higher, $l>0$, angular momentum channels is also considered and an expression is derived for the corresponding transport time and used to discuss the influence of non--resonant scattering on the transport properties.Comment: 45 pages, RevTeX, 28 figures, available on reques

Density-matrix renormalisation group approach to quantum impurity problems

A dynamic density-matrix renormalisation group approach to the spectral properties of quantum impurity problems is presented. The method is demonstrated on the spectral density of the flat-band symmetric single-impurity Anderson model. We show that this approach provides the impurity spectral density for all frequencies and coupling strengths. In particular, Hubbard satellites at high energy can be obtained with a good resolution. The main difficulties are the necessary discretisation of the host band hybridised with the impurity and the resolution of sharp spectral features such as the Abrikosov-Suhl resonance.Comment: 16 pages, 6 figures, submitted to Journal of Physics: Condensed Matte

Higher-Order Results for the Relation between Channel Conductance and the Coulomb Blockade for Two Tunnel-Coupled Quantum Dots

We extend earlier results on the relation between the dimensionless tunneling channel conductance $g$ and the fractional Coulomb blockade peak splitting $f$ for two electrostatically equivalent dots connected by an arbitrary number $N_{\text{ch}}$ of tunneling channels with bandwidths $W$ much larger than the two-dot differential charging energy $U_{2}$. By calculating $f$ through second order in $g$ in the limit of weak coupling ($g \rightarrow 0$), we illuminate the difference in behavior of the large-$N_{\text{ch}}$ and small-$N_{\text{ch}}$ regimes and make more plausible extrapolation to the strong-coupling ($g \rightarrow 1$) limit. For the special case of $N_{\text{ch}}=2$ and strong coupling, we eliminate an apparent ultraviolet divergence and obtain the next leading term of an expansion in $(1-g)$. We show that the results we calculate are independent of such band structure details as the fraction of occupied fermionic single-particle states in the weak-coupling theory and the nature of the cut-off in the bosonized strong-coupling theory. The results agree with calculations for metallic junctions in the $N_{\text{ch}} \rightarrow \infty$ limit and improve the previous good agreement with recent two-channel experiments.Comment: 27 pages, 1 RevTeX file with 4 embedded Postscript figures. Uses eps

Finite temperature numerical renormalization group study of the Mott-transition

Wilson's numerical renormalization group (NRG) method for the calculation of dynamic properties of impurity models is generalized to investigate the effective impurity model of the dynamical mean field theory at finite temperatures. We calculate the spectral function and self-energy for the Hubbard model on a Bethe lattice with infinite coordination number directly on the real frequency axis and investigate the phase diagram for the Mott-Hubbard metal-insulator transition. While for T<T_c approx 0.02W (W: bandwidth) we find hysteresis with first-order transitions both at U_c1 (defining the insulator to metal transition) and at U_c2 (defining the metal to insulator transition), at T>T_c there is a smooth crossover from metallic-like to insulating-like solutions.Comment: 10 pages, 9 eps-figure