Quantum critical phase of FeO spans conditions of Earth's lower mantle.

Seismic and mineralogical studies have suggested regions at Earth's core-mantle boundary may be highly enriched in FeO, reported to exhibit metallic behavior at extreme pressure-temperature (P-T) conditions. However, underlying electronic processes in FeO remain poorly understood. Here we explore the electronic structure of B1-FeO at extreme conditions with large-scale theoretical modeling using state-of-the-art embedded dynamical mean field theory (eDMFT). Fine sampling of the phase diagram reveals that, instead of sharp metallization, compression of FeO at high temperatures induces a gradual orbitally selective insulator-metal transition. Specifically, at P-T conditions of the lower mantle, FeO exists in an intermediate quantum critical state, characteristic of strongly correlated electronic matter. Transport in this regime, distinct from insulating or metallic behavior, is marked by incoherent diffusion of electrons in the conducting t2g orbital and a band gap in the eg orbital, resulting in moderate electrical conductivity (~105 S/m) with modest P-T dependence as observed in experiments. Enrichment of solid FeO can thus provide a unifying explanation for independent observations of low seismic velocities and elevated electrical conductivities in heterogeneities at Earth's mantle base.

Universal Scaling near Band-Tuned Metal-Insulator Phase Transitions.

We present a theory for band-tuned metal-insulator transitions based on the Kubo formalism. Such a transition exhibits scaling of the resistivity curves in the regime where Tτ>1 or µτ>1, where τ is the scattering time and µ the chemical potential. At the critical value of the chemical potential, the resistivity diverges as a power law, R_{c}∼1/T. Consequently, on the metallic side there is a regime with negative dR/dT, which is often misinterpreted as insulating. We show that scaling and this "fake insulator" regime are observed in a wide range of experimental systems. In particular, we show that Mooij correlations in high-temperature metals with negative dR/dT can be quantitatively understood with our scaling theory in the presence of T-linear scattering.

Disorder-dominated quantum criticality in moiré bilayers.

Moiré bilayer materials have recently attracted much attention following the discovery of various correlated insulating states at specific band fillings. Here we discuss the metal-insulator transitions (MITs) that have been observed in the same devices, but at fillings far from the strongly correlated regime dominated by Mott-like physics, displaying many similarities to other examples of disorder-dominated MITs. We propose a minimal theoretical model describing the interplay of interactions and disorder, which is able to capture all the universal aspects of quantum criticality, as observed in experiments performed on several devices.

Mooij Law Violation from Nanoscale Disorder.

Nanoscale inhomogeneity can profoundly impact properties of two-dimensional van der Waals materials. Here, we reveal how sulfur substitution on the selenium atomic sites in Fe1-ySe1-xSx (0 ≤ x ≤ 1, y ≤ 0.1) causes Fe-Ch (Ch = Se, S) bond length differences and strong disorder for 0.4 ≤ x ≤ 0.8. There, the superconducting transition temperature Tc is suppressed and disorder-related scattering is enhanced. The high-temperature metallic resistivity in the presence of strong disorder exceeds the Mott limit and provides an example of the violation of Matthiessen's rule and the Mooij law, a dominant effect when adding moderate disorder past the Drude/Matthiessen's regime in all materials. The scattering mechanism responsible for the resistivity above the Mott limit is unrelated to phonons and arises for strong Se/S atom disorder in the tetrahedral surrounding of Fe. Our findings shed light on the intricate connection between the nanostructural details and the unconventional scattering mechanism, which is possibly related to charge-nematic or magnetic spin fluctuations.

Rise and fall of Landau's quasiparticles while approaching the Mott transition.

Landau suggested that the low-temperature properties of metals can be understood in terms of long-lived quasiparticles with all complex interactions included in Fermi-liquid parameters, such as the effective mass m⋆. Despite its wide applicability, electronic transport in bad or strange metals and unconventional superconductors is controversially discussed towards a possible collapse of the quasiparticle concept. Here we explore the electrodynamic response of correlated metals at half filling for varying correlation strength upon approaching a Mott insulator. We reveal persistent Fermi-liquid behavior with pronounced quadratic dependences of the optical scattering rate on temperature and frequency, along with a puzzling elastic contribution to relaxation. The strong increase of the resistivity beyond the Ioffe-Regel-Mott limit is accompanied by a 'displaced Drude peak' in the optical conductivity. Our results, supported by a theoretical model for the optical response, demonstrate the emergence of a bad metal from resilient quasiparticles that are subject to dynamical localization and dissolve near the Mott transition.

Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.

A series of f-block chromates, CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am), were prepared revealing notable differences between the AmIII derivatives and their lanthanide analogs. While all compounds form similar layered structures, the americium compound exhibits polymorphism and adopts both a structure isomorphous with the early lanthanides as well as one that possesses lower symmetry. Both polymorphs are dark red and possess band gaps that are smaller than the LnIII compounds. In order to probe the origin of these differences, the electronic structure of α-CsSm(CrO4)2, α-CsEu(CrO4)2, and α-CsAm(CrO4)2 were studied using both a molecular cluster approach featuring hybrid density functional theory and QTAIM analysis and by the periodic LDA+GA and LDA+DMFT methods. Notably, the covalent contributions to bonding by the f orbitals were found to be more than twice as large in the AmIII chromate than in the SmIII and EuIII compounds, and even larger in magnitude than the Am-5f spin-orbit splitting in this system. Our analysis indicates also that the Am-O covalency in α-CsAm(CrO4)2 is driven by the degeneracy of the 5f and 2p orbitals, and not by orbital overlap.

Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO_{2}.

We derive an exact operatorial reformulation of the rotational invariant slave boson method, and we apply it to describe the orbital differentiation in strongly correlated electron systems starting from first principles. The approach enables us to treat strong electron correlations, spin-orbit coupling, and crystal field splittings on the same footing by exploiting the gauge invariance of the mean-field equations. We apply our theory to the archetypical nuclear fuel UO_{2} and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Γ_{8} and extended Γ_{7} electrons.

Disorder-Driven Metal-Insulator Transitions in Deformable Lattices.

We show that, in the presence of a deformable lattice potential, the nature of the disorder-driven metal-insulator transition is fundamentally changed with respect to the noninteracting (Anderson) scenario. For strong disorder, even a modest electron-phonon interaction is found to dramatically renormalize the random potential, opening a mobility gap at the Fermi energy. This process, which reflects disorder-enhanced polaron formation, is here given a microscopic basis by treating the lattice deformations and Anderson localization effects on the same footing. We identify an intermediate "bad insulator" transport regime which displays resistivity values exceeding the Mott-Ioffe-Regel limit and with a negative temperature coefficient, as often observed in strongly disordered metals. Our calculations reveal that this behavior originates from significant temperature-induced rearrangements of electronic states due to enhanced interaction effects close to the disorder-driven metal-insulator transition.

Fate of Spinons at the Mott Point.

Gapless spin liquids have recently been observed in several frustrated Mott insulators, with elementary spin excitations-"spinons"-reminiscent of degenerate Fermi systems. However, their precise role at the Mott point, where charge fluctuations begin to proliferate, remains controversial and ill understood. Here we present the simplest theoretical framework that treats the dynamics of emergent spin and charge excitations on the same footing, providing a new physical picture of the Mott metal-to-insulator transition at half filing. We identify a generic orthogonality mechanism leading to strong damping of spinons, arising as soon as the Mott gap closes. Our results indicate that spinons should not play a significant role within the high-temperature quantum critical regime above the Mott point-in striking agreement with all available experiments.

Metal to Insulator Quantum-Phase Transition in Few-Layered ReS2.

In ReS2, a layer-independent direct band gap of 1.5 eV implies a potential for its use in optoelectronic applications. ReS2 crystallizes in the 1T'-structure, which leads to anisotropic physical properties and whose concomitant electronic structure might host a nontrivial topology. Here, we report an overall evaluation of the anisotropic Raman response and the transport properties of few-layered ReS2 field-effect transistors. We find that ReS2 exfoliated on SiO2 behaves as an n-type semiconductor with an intrinsic carrier mobility surpassing µ(i) ∼ 30 cm(2)/(V s) at T = 300 K, which increases up to ∼350 cm(2)/(V s) at 2 K. Semiconducting behavior is observed at low electron densities n, but at high values of n the resistivity decreases by a factor of >7 upon cooling to 2 K and displays a metallic T(2)-dependence. This suggests that the band structure of 1T'-ReS2 is quite susceptible to an electric field applied perpendicularly to the layers. The electric-field induced metallic state observed in transition metal dichalcogenides was recently claimed to result from a percolation type of transition. Instead, through a scaling analysis of the conductivity as a function of T and n, we find that the metallic state of ReS2 results from a second-order metal-to-insulator transition driven by electronic correlations. This gate-induced metallic state offers an alternative to phase engineering for producing ohmic contacts and metallic interconnects in devices based on transition metal dichalcogenides.

Non-Fermi-Liquid Behavior in Metallic Quasicrystals with Local Magnetic Moments.

Motivated by the intrinsic non-Fermi-liquid behavior observed in the heavy-fermion quasicrystal Au51Al34Yb15, we study the low-temperature behavior of dilute magnetic impurities placed in metallic quasicrystals. We find that a large fraction of the magnetic moments are not quenched down to very low temperatures T, leading to a power-law distribution of Kondo temperatures P(T(K))∼T(K)(α-1), with a nonuniversal exponent α, in a remarkable similarity to the Kondo-disorder scenario found in disordered heavy-fermion metals. For α<1, the resulting singular P(T(K)) induces non-Fermi-liquid behavior with diverging thermodynamic responses as T→0.

Glassy Dynamics in Geometrically Frustrated Coulomb Liquids without Disorder.

We show that introducing long-range Coulomb interactions immediately lifts the massive ground state degeneracy induced by geometric frustration for electrons on quarter-filled triangular lattices in the classical limit. Important consequences include the stabilization of a stripe-ordered crystalline (global) ground state, but also the emergence of very many low-lying metastable states with amorphous "stripe-glass" spatial structures. Melting of the stripe order thus leads to a frustrated Coulomb liquid at intermediate temperatures, showing remarkably slow (viscous) dynamics, with very long relaxation times growing in Arrhenius fashion upon cooling, as typical of strong glass formers. On shorter time scales, the system falls out of equilibrium and displays the aging phenomena characteristic of supercooled liquids above the glass transition. Our results show remarkable similarity with the recent observations of charge-glass behavior in ultraclean triangular organic materials of the θ-(BEDT-TTF)(2) family.

Effective cluster typical medium theory for the diagonal Anderson disorder model in one- and two-dimensions.

We develop a cluster typical medium theory to study localization in disordered electronic systems. Our formalism is able to incorporate non-local correlations beyond the local typical medium theory in a systematic way. The cluster typical medium theory utilizes the momentum-resolved typical density of states and hybridization function to characterize the localization transition. We apply the formalism to the Anderson model of localization in one- and two-dimensions. In one-dimension, we find that the critical disorder strength scales inversely with the linear cluster size with a power law, Wc ∼ (1/Lc)(1/ν), whereas in two-dimensions, the critical disorder strength decreases logarithmically with the linear cluster size. Our results are consistent with previous numerical work and are in agreement with the one-parameter scaling theory.

Influence of long-range interactions on charge ordering phenomena on a square lattice.

Usually complex charge ordering phenomena arise due to competing interactions. We have studied how such ordered patterns emerge from the frustration of a long-ranged interaction on a lattice. Using the lattice gas model on a square lattice with fixed particle density, we have identified several interesting phases, such as a generalization of Wigner crystals at low particle densities and stripe phases at densities between ρ=1/3 and 1/2. These stripes act as domain walls in the checkerboard phase present at half-filling. The phases are characterized at zero temperatures using numerical simulations, and mean field theory is used to construct a finite temperature phase diagram.

Universality of modulation length and time exponents.

We study systems with a crossover parameter λ, such as the temperature T, which has a threshold value λ(*) across which the correlation function changes from exhibiting fixed wavelength (or time period) modulations to continuously varying modulation lengths (or times). We introduce a hitherto unknown exponent ν(L) characterizing the universal nature of this crossover and compute its value in general instances. This exponent, similar to standard correlation length exponents, is obtained from motion of the poles of the momentum (or frequency) space correlation functions in the complex k-plane (or ω-plane) as the parameter λ is varied. Near the crossover (i.e., for λ→λ(*)), the characteristic modulation wave vector K(R) in the variable modulation length "phase" is related to that in the fixed modulation length "phase" q via |K(R)-q|[proportionality]|T-T(*)|(νL). We find, in general, that ν(L)=1/2. In some special instances, ν(L) may attain other rational values. We extend this result to general problems in which the eigenvalue of an operator or a pole characterizing general response functions may attain a constant real (or imaginary) part beyond a particular threshold value λ(*). We discuss extensions of this result to multiple other arenas. These include the axial next-nearest-neighbor Ising (ANNNI) model. By extending our considerations, we comment on relations pertaining not only to the modulation lengths (or times), but also to the standard correlation lengths (or times). We introduce the notion of a Josephson time scale. We comment on the presence of aperiodic "chaotic" modulations in "soft-spin" and other systems. These relate to glass-type features. We discuss applications to Fermi systems, with particular application to metal to band insulator transitions, change of Fermi surface topology, divergent effective masses, Dirac systems, and topological insulators. Both regular periodic and glassy (and spatially chaotic behavior) may be found in strongly correlated electronic systems.

Nonlinear screening theory of the Coulomb glass.

A nonlinear screening theory is formulated to study the problem of gap formation and its relation to glassy freezing in classical Coulomb glasses. We find that a pseudogap ("plasma dip") in a single-particle density of states begins to open already at temperatures comparable to the Coulomb energy. This phenomenon is shown to reflect the emergence of short-range correlations in a liquid (plasma) phase, a process which occurs even in the absence of disorder. Glassy ordering emerges when disorder is present, but this occurs only at temperatures roughly an order of magnitude lower. Our result demonstrate that the formation of the plasma dip at high temperatures is a process distinct from the formation of the Efros-Shklovskii pseudogap, which in our model emerges only within the glassy phase.