Mott insulator

Abstract: We propose a form for the exchange-correlation potential in local-density band theory, appropriate for Mott insulators The idea is to use the ``constrained-local-density-approximation'' Hubbard parameter U as the quantity relating the single-particle potentials to the magnetic- (and orbital-) order parameters Our energy functional is that of the local-density approximation plus the mean-field approximation to the remaining part of the U term We argue that such a method should make sense, if one accepts the Hubbard model and the success of constrained-local-density-approximation parameter calculations Using this ab initio scheme, we find that all late-3d-transition-metal monoxides, as well as the parent compounds of the high-${\mathit{T}}_{\mathit{c}}$ compounds, are large-gap magnetic insulators of the charge-transfer type Further, the method predicts that ${\mathrm{LiNiO}}_{2}$ is a low-spin ferromagnet and NiS a local-moment p-type metal The present version of the scheme fails for the early-3d-transition-metal monoxides and for the late 3d transition metals

Abstract: Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of orders of magnitude, and are widely observed in condensed-matter systems. This article presents the observations and current understanding of the metal-insulator transition with a pedagogical introduction to the subject. Especially important are the transitions driven by correlation effects associated with the electron-electron interaction. The insulating phase caused by the correlation effects is categorized as the Mott Insulator. Near the transition point the metallic state shows fluctuations and orderings in the spin, charge, and orbital degrees of freedom. The properties of these metals are frequently quite different from those of ordinary metals, as measured by transport, optical, and magnetic probes. The review first describes theoretical approaches to the unusual metallic states and to the metal-insulator transition. The Fermi-liquid theory treats the correlations that can be adiabatically connected with the noninteracting picture. Strong-coupling models that do not require Fermi-liquid behavior have also been developed. Much work has also been done on the scaling theory of the transition. A central issue for this review is the evaluation of these approaches in simple theoretical systems such as the Hubbard model and $t\ensuremath{-}J$ models. Another key issue is strong competition among various orderings as in the interplay of spin and orbital fluctuations. Experimentally, the unusual properties of the metallic state near the insulating transition have been most extensively studied in $d$-electron systems. In particular, there is revived interest in transition-metal oxides, motivated by the epoch-making findings of high-temperature superconductivity in cuprates and colossal magnetoresistance in manganites. The article reviews the rich phenomena of anomalous metallicity, taking as examples Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Ru compounds. The diverse phenomena include strong spin and orbital fluctuations, mass renormalization effects, incoherence of charge dynamics, and phase transitions under control of key parameters such as band filling, bandwidth, and dimensionality. These parameters are experimentally varied by doping, pressure, chemical composition, and magnetic fields. Much of the observed behavior can be described by the current theory. Open questions and future problems are also extracted from comparison between experimental results and theoretical achievements.

Abstract: We review the dynamical mean-field theory of strongly correlated electron systems which is based on a mapping of lattice models onto quantum impurity models subject to a self-consistency condition. This mapping is exact for models of correlated electrons in the limit of large lattice coordination (or infinite spatial dimensions). It extends the standard mean-field construction from classical statistical mechanics to quantum problems. We discuss the physical ideas underlying this theory and its mathematical derivation. Various analytic and numerical techniques that have been developed recently in order to analyze and solve the dynamical mean-field equations are reviewed and compared to each other. The method can be used for the determination of phase diagrams (by comparing the stability of various types of long-range order), and the calculation of thermodynamic properties, one-particle Green's functions, and response functions. We review in detail the recent progress in understanding the Hubbard model and the Mott metal-insulator transition within this approach, including some comparison to experiments on three-dimensional transition-metal oxides. We present an overview of the rapidly developing field of applications of this method to other systems. The present limitations of the approach, and possible extensions of the formalism are finally discussed. Computer programs for the numerical implementation of this method are also provided with this article.

Abstract: The generalization of the Local Density Approximation (LDA) method for the systems with strong Coulomb correlations is presented which gives a correct description of the Mott insulators. The LDA+U method is based on the model hamiltonian approach and allows to take into account the non-sphericity of the Coulomb and exchange interactions. parameters. Orbital-dependent LDA+U potential gives correct orbital polarization and corresponding Jahn-Teller distortion. To calculate the spectra of the strongly correlated systems the impurity Anderson model should be solved with a many-electron trial wave function. All parameters of the many-electron hamiltonian are taken from LDA+U calculations. The method was applied to NiO and has shown good agreement with experimental photoemission spectra and with the oxygen Kα X-ray emission spectrum.

Abstract: The dynamics of an ultracold dilute gas of bosonic atoms in an optical lattice can be described by a Bose-Hubbard model where the system parameters are controlled by laser light We study the continuous (zero temperature) quantum phase transition from the superfluid to the Mott insulator phase induced by varying the depth of the optical potential, where the Mott insulator phase corresponds to a commensurate filling of the lattice (``optical crystal'') Examples for formation of Mott structures in optical lattices with a superimposed harmonic trap and in optical superlattices are presented