No Arabic abstract
We investigate the periodic Anderson model with $bm{k}$-dependent $c$-$f$ mixing reproducing the point nodes of the hybridization gap by using the dynamical mean-field theory combined with the exact diagonalization method. At low temperature below a coherence temperature $T_0$, the imaginary part of the self-energy is found to be proportional to $T^2$ and the pseudogap with two characteristic energies $tilde{it Delta}_1$ and $tilde{it Delta}_2$ is clearly observed for $Tll T_0$, while the pseudogap is smeared with increasing $T$ and then disappears at high temperature $T simg T_0$ due to the evolution of the imaginary self-energy. When the Coulomb interaction between $f$ electrons $U$ increases, $tilde{it Delta}_1$, $tilde{it Delta}_2$, and $T_0$ together with $T_{rm max}$ at which the magnetic susceptibility is maximum decrease in proportion to the renormalization factor $Z$ resulting in a heavy-fermion semiconductor with a large mass enhancement $m^*/m=Z^{-1}$ for large $U$. We also examine the effect of the external magnetic field $H$ and find that the magnetization $M$ shows two metamagnetic anomalies $H_1$ and $H_2$ corresponding to $tilde{it Delta}_1$ and $tilde{it Delta}_2$ which are reduced due to the effect of $H$ together with $Z$. Remarkably, $Z^{-1}$ is found to be largely enhanced due to $H$ especially for $H_1 siml H siml H_2$, where the field induced heavy-fermion state is realized. The obtained results seem to be consistent with the experimental results observed in the anisotropic Kondo semiconductors such as CeNiSn.
The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular, the combination of the DMFT with conventional methods for the calculation of electronic band structures has led to a powerful numerical approach which allows one to explore the properties of correlated materials. In this introductory article we discuss the foundations of the DMFT, derive the underlying self-consistency equations, and present several applications which have provided important insights into the properties of correlated matter.
We examine the cluster-size dependence of the cellular dynamical mean-field theory (CDMFT) applied to the two-dimensional Hubbard model. Employing the continuous-time quantum Monte Carlo method as the solver for the effective cluster model, we obtain CDMFT solutions for 4-, 8-, 12-, and 16-site clusters at a low temperature. Comparing various periodization schemes, which are used to construct the infinite-lattice quantities from the cluster results, we find that the cumulant periodization yields the fastest convergence for the hole-doped Mott insulator where the most severe size dependence is expected. We also find that the convergence is much faster around (0,0) and (pi/2,pi/2) than around (pi,0) and (pi,pi). The cumulant-periodized self-energy seems to be close to its thermodynamic limit already for a 16-site cluster in the range of parameters studied. The 4-site results remarkably agree well with the 16-site results, indicating that the previous studies based on the 4-site cluster capture the essence of the physics of doped Mott insulators.
We apply the dynamical large-$N$ Schwinger boson technique as an impurity solver for the dynamical mean-field theory calculations of the Kondo lattice model. Our approach captures the hybridization physics through the DMFT self-consistency that is missing in the pure Schwinger boson calculations with independent electron baths. The resulting thermodynamic and transport properties are in qualitative agreement with more rigorous calculations and give the correct crossover behavior over a wide temperature range from the local moment regime to the Fermi liquid. Our method may be further extended to combine with the density functional theory for efficient material calculations.
A tight binding parametrization of local spin density functional band theory is combined with a dynamical mean field treatment of correlations to obtain a theory of the magnetic transition temperature, optical conductivity and T=0 spinwave stiffness of a minimal model for the pseudocubic metallic $CMR$ manganites such a $La_{1-X}Sr_{x}MnO_{3}$. The results indicate that previous estimates of $T_{c}$ obtained by one of us (Phys. Rev. textbf{B61} 10738-49 (2000)) are in error, that in fact the materials are characterized by Hunds coupling $Japprox 1.5eV$, and that magnetic-order driven changes in the kinetic energy may not be the cause of the observed colossal magnetoresistive and multiphase behavior in the manganites, raising questions about our present understanding of these materials.
Transition metal oxide heterostructures often, but by far not always, exhibit strong electronic correlations. State-of-the-art calculations account for these by dynamical mean field theory (DMFT). We discuss the physical situations in which DMFT is needed, not needed, and where it is actually not sufficient. By means of an example, SrVO$_3$/SrTiO$_3$, we discuss step-by-step and figure-by-figure a density functional theory(DFT)+DMFT calculation. The second part reviews DFT+DMFT calculations for oxide heterostructure focusing on titanates, nickelates, vanadates, and ruthenates.