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Emergent Disorder : Nano-Domain Formation Near the First-Order Mott-Hubbard Transition

Liu Qin-Yong

Published Jul 23, 2012• 0 citations
OpenAlex

Abstract

Since the Mott-Hubbard metal-insulator transition is a first order phase transition, we can always find a phase coexistence region in the phase diagram. In this region, the metallic state and the insulating state coexists, although one of these states is the meta-stable state (if the parameters are off the first order phase transition line). Micro domains can be thermally excited to the meta-stable state. Therefore, domains exist inside a bulk material. Between the domain and the bulk material, a domain wall is built up, which can be calculated by the spatially resolved DMFT. With the domain wall DOS results, we can calculate the domain size distribution function P(R). If we simulate a large lattice system where the domains are created according to the distribution function P(R), we find that the total resistivity grows linearly as T increases. This is another explanation to the linear resistivity behaviour in the normal-state superconductors.

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Since the Mott-Hubbard metal-insulator transition is a first order phase transition, we can always find a phase coexistence region in the phase diagram. In this region, the metallic state and the insulating state coexists, although one of these states is the meta-stable state (if the parameters are off the first order phase transition line). Micro domains can be thermally excited to the meta-stable state. Therefore, domains exist inside a bulk material. Between the domain and the bulk material, a domain wall is built up, which can be calculated by the spatially resolved DMFT. With the domain wall DOS results, we can calculate the domain size distribution function P(R). If we simulate a large lattice system where the domains are created according to the distribution function P(R), we find that the total resistivity grows linearly as T increases. This is another explanation to the linear resistivity behaviour in the normal-state superconductors.
Most Mott systems display a low-temperature phase coexistence region around the metal-insulator transition. The domain walls separating the respective phases have very recently been observed displaying unusual properties both in simulations and in experiments. First, they often cover a significant volume fraction, thus cannot be neglected. Second, they resemble neither a typical metal nor a standard insulator, displaying unfamiliar temperature dependence of (local) transport properties. Here we take a closer look at such domain wall matter by examining an appropriate unstable solution of the Hubbard model. We show that transport in this regime is dominated by the emergence of ``resilient quasiparticles'' displaying strong non-Fermi liquid features, reflecting the quantum-critical fluctuations in the vicinity of the Mott point.
For doped two-dimensional Mott insulators in their normal state, the challenge is to understand the evolution from a conventional metal at high doping to a strongly correlated metal near the Mott insulator at zero doping. To this end, we solve the cellular dynamical mean-field equations for the two-dimensional Hubbard model using a plaquette as the reference quantum impurity model and continuous-time quantum Monte Carlo method as impurity solver. The normal-state phase diagram as a function of interaction strength UUU, temperature TTT, and filling nnn shows that, upon increasing nnn toward the Mott insulator, there is a surface of first-order transition between two metals at nonzero doping. That surface ends at a finite temperature critical line originating at the half-filled Mott critical point. Associated with this transition, there is a maximum in scattering rate as well as thermodynamic signatures. These findings suggest a new scenario for the normal-state phase diagram of the high temperature superconductors. The criticality surmised in these systems can originate not from a T === 0 quantum critical point, nor from the proximity of a long-range ordered phase, but from a low temperature transition between two types of metals at finite doping. The influence of Mott physics therefore extends well beyond half-filling.
We studied several aspects of the Mott metal-insulator transition in the disordered case. The model on which we based our analysis is the disordered Hubbard model, which is the simplest model capable of capturing the Mott metal-insulator transition. We investigated this model through statistical dynamical mean-field theory (statDMFT). This theory is a natural extension of dynamical mean-field theory (DMFT), which has been used with relative success in the past several years with the purpose of describing the Mott transition in the clean case. As is the case for the latter theory, statDMFT incorporates the electronic correlation effects only in their local manifestations. Disorder, on the other hand, is treated in such a way as to incorporate Anderson localization effects. With this technique, we analyzed the disordered two-dimensional Mott transition, using the quantum Monte Carlo algorithm to solve the associated single-impurity problems. We found spinodal lines at which the metal and insulator ceased to be metastable. We also studied spatial fluctuations of local quantities, such as self-energy and local Green's function, and showed the appearance of metallic regions within the insulator and vice versa. We carried out an analysis of finite-size effects and showed that, in agreement with the theorems of Imry and Ma [Y. Imry and S. K. Ma, Phys. Rev. Lett. 35, 1399 (1975).], the first-order transition is smeared in the thermodynamic limit. We analyzed transport properties by means of a mapping to a random classical resistor network and calculated both the average current and its distribution across the metal-insulator transition.
The DOS, the dynamic (optical) conductivity, and the phase diagram of a strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT + Σ approximation). Strong correlations are taken into account by the DMFT, and disorder is taken into account via an appropriate generalization of the self-consistent theory of localization. The DMFT effective single-impurity problem is solved by a numerical renormalization group (NRG); we consider the three-dimensional system with a semielliptic DOS. The correlated metal, Mott insulator, and correlated Anderson insulator phases are identified via the evolution of the DOS and dynamic conductivity, demonstrating both the Mott-Hubbard and Anderson metal-insulator transition and allowing the construction of the complete zero-temperature phase diagram of the Anderson-Hubbard model. Rather unusual is the possibility of a disorder-induced Mott insulator-to-metal transition.
The influence of disorder and pseudogap fluctuations on the Mott insulator-metal transition in strongly correlated systems has been studied in the framework of the generalized dynamic mean field theory (DMFT + Σ approach). Using the results of investigations of the density of states (DOS) and optical conductivity, a phase diagram (disorder-Hubbard interaction-temperature) is constructed for the paramagnetic Anderson-Hubbard model, which allows both the effects of strong electron correlations and the influence of strong disorder to be considered. Strong correlations are described using the DMFT, while a strong disorder is described using a generalized self-consistent theory of localization. The DOS and optical conductivity of the paramagnetic Hubbard model have been studied in a pseudogap state caused by antiferromagnetic spin (or charge) short-range order fluctuations with a finite correlation length, which have been modeled by a static Gaussian random field. The effect of a pseudogap on the Mott insulator-metal transition has been studied. It is established that, in both cases, the static Gaussian random field (related to the disorder or pseudogap fluctuations) leads to suppression of the Mott transition, broadening of the coexistence region of the insulator and metal phases, and an increase in the critical temperature at which the coexistence region disappears.
We develop an analytical theory for generic disorder-driven quantum phase transitions. We apply this formalism to the superconductor-insulator transition and we briefly discuss the applications to the order-disorder transition in quantum magnets. The effective spin-12\frac{1}{2}21​ models for these transitions are solved in the cavity approximation which becomes exact on a Bethe lattice with large branching number K⪢1K⪢1K⪢1 and weak dimensionless coupling g⪡1g⪡1g⪡1. The characteristic feature of the low-temperature phase is a large self-formed inhomogeneity of the order-parameter distribution near the critical point $K\ensuremath{\ge}{K}_{c}(g)$, where the critical temperature Tc{T}_{c}Tc​ of the ordering transition vanishes. We find that the local probability distribution P(B)P(B)P(B) of the order parameter BBB has a long power-law tail in the region where BBB is much larger than its typical value B0{B}_{0}B0​. Near the quantum-critical point, at $K\ensuremath{\rightarrow}{K}_{c}(g)$, the typical value of the order parameter vanishes exponentially, ${B}_{0}\ensuremath{\propto}{e}^{\ensuremath{-}C/[K\ensuremath{-}{K}_{c}(g)]}$ while the spatial scale Ninh{N}_{inh}Ninh​ of the order parameter inhomogeneities diverges as ${[K\ensuremath{-}{K}_{c}(g)]}^{\ensuremath{-}2}$. In the disordered regime, realized at K<Kc(g)K<{K}_{c}(g)K<Kc​(g) we find actually two distinct phases characterized by different behavior of relaxation rates. The first phase exists in an intermediate range of ${K}^{\ensuremath{\ast}}(g)<K<{K}_{c}(g)$. It has two regimes of energies: at low excitation energies, $\ensuremath{\omega}<{\ensuremath{\omega}}_{d}(K,g)$, the many-body spectrum of the model is discrete, with zero-level widths, while at $\ensuremath{\omega}>{\ensuremath{\omega}}_{d}$ the level acquire a nonzero width which is self-generated by the many-body interactions. In this phase the spin model provides by itself an intrinsic thermal bath. Another phase is obtained at smaller $K<{K}^{\ensuremath{\ast}}(g)$, where all the eigenstates are discrete, corresponding to full many-body localization. These results provide an explanation for the activated behavior of the resistivity in amorphous materials on the insulating side near the superconductor-insulator transition and a semiquantitative description of the scanning tunneling data on its superconductive side.