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Register a new userDynamical mean field theory for transition temperature and optics of CMR manganites
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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.
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The gigantic reduction of the electric resistivity under the applied magnetic field, CMR effect, is now widely accepted to appear in the vicinity of the insulator to metal transition of the perovskite manganites. Recently, we have discovered the first order transition from ferromagnetic metal to insulator in $rm La_{0.88}Sr_{0.12}MnO_3$ of the CMR manganite. This phase transition induces the tremendous increase of the resistivity under the external magnetic field just near above the phase transition temperature. We report here fairly detailed results from the systematic experiments including neutron and synchrotron X-ray scattering studies.
We address the nature of the Mott transition in the Hubbard model at half-filling using cluster Dynamical Mean Field Theory (DMFT). We compare cluster DMFT results with those of single site DMFT. We show that inclusion of the short range correlations on top of the on-site correlations, already treated exactly in single site DMFT, do not change the nature of the transition between the paramagnetic metal and the paramagnetic Mott insulator, which remains first order. However, the short range correlations reduce substantially the critical $U$ and modify the shape of transition lines. Moreover, they lead to very different physical properties of the metallic and insulating phases near the transition, in particular in the region of the phase diagram where the two solutions coexist. Approaching the transition from the metallic side, we find an anomalous metallic state with very low coherence scale at temperatures as low as $T=0.01t$. The insulating state is characterized by the relatively narrow Mott gap with pronounced peaks at the gap edge.
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 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.
We present the first dynamical implementation of the combined GW and dynamical mean field scheme (GW+DMFT) for first principles calculations of the electronic properties of correlated materials. The application to the ternary transition metal oxide SrVO3 demonstrates that this schemes inherits the virtues of its two parent theories: a good description of the local low energy correlation physics encoded in a renormalized quasi-particle band structure, spectral weight transfer to Hubbard bands, and the physics of screening driven by long-range Coulomb interactions. Our data is in good agreement with available photoemission and inverse photoemission spectra; our analysis leads to a reinterpretation of the commonly accepted three-peak structure as originating from orbital effects rather than from the electron addition peak within the t2g manifold.
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