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Showing papers on "Mott transition published in 2013"


Journal ArticleDOI
TL;DR: In this article, the authors review the theoretical understanding and physical properties of these Hund's metals, together with the relevance of this concept to transition-metal oxides (TMOs) of the 3D, and especially 4d, series (such as ruthenates), as well as to the iron-based superconductors (iron pnictides and chalcogenides).
Abstract: Strong electronic correlations are often associated with the proximity of a Mott-insulating state. In recent years however, it has become increasingly clear that the Hund’s rule coupling (intra-atomic exchange) is responsible for strong correlations in multiorbital metallic materials that are not close to a Mott insulator. Hund’s coupling has two effects: It influences the energetics of the Mott gap and strongly suppresses the coherence scale for the formation of a Fermi liquid. A global picture has emerged recently, which emphasizes the importance of the average occupancy of the shell as a control parameter. The most dramatic effects occur away from half-filling or single occupancy. We review the theoretical understanding and physical properties of these Hund’s metals, together with the relevance of this concept to transition-metal oxides (TMOs) of the 3d, and especially 4d, series (such as ruthenates), as well as to the iron-based superconductors (iron pnictides and chalcogenides).

583 citations


Journal ArticleDOI
TL;DR: Joule-heating induced conductance-switching is studied in VO2, a Mott insulator, using complementary in situ techniques including optical characterization, blackbody microscopy, scanning transmission X-ray microscopy and numerical simulations.
Abstract: Joule-heating induced conductance-switching is studied in VO2 , a Mott insulator. Complementary in situ techniques including optical characterization, blackbody microscopy, scanning transmission X-ray microscopy (STXM) and numerical simulations are used. Abrupt redistribution in local temperature is shown to occur upon conductance-switching along with a structural phase transition, at the same current.

179 citations


Journal ArticleDOI
TL;DR: This model, based on key theoretical features of the Mott phenomenon, reproduces the general behavior of this resistive switching and demonstrates that it can be associated with a dynamically directed avalanche.
Abstract: One of today's most exciting research frontier and challenge in condensed matter physics is known as Mottronics, whose goal is to incorporate strong correlation effects into the realm of electronics. In fact, taming the Mott insulator-to-metal transition (IMT), which is driven by strong electronic correlation effects, holds the promise of a commutation speed set by a quantum transition, and with negligible power dissipation. In this context, one possible route to control the Mott transition is to electrostatically dope the systems using strong dielectrics, in FET-like devices. Another possibility is through resistive switching, that is, to induce the insulator-to-metal transition by strong electric pulsing. This action brings the correlated system far from equilibrium, rendering the exact treatment of the problem a difficult challenge. Here, we show that existing theoretical predictions of the off-equilibrium manybody problem err by orders of magnitudes, when compared to experiments that we performed on three prototypical narrow gap Mott systems V2-xCrxO3, NiS2-xSex and GaTa4Se8, and which also demonstrate a striking universality of this Mott resistive transition (MRT). We then introduce and numerically study a model based on key theoretically known physical features of the Mott phenomenon in the Hubbard model. We find that our model predictions are in very good agreement with the observed universal MRT and with a non-trivial timedelay electric pulsing experiment, which we also report. Our study demonstrates that the MRT can be associated to a dynamically directed avalanche.

121 citations


Journal ArticleDOI
TL;DR: In this article, a study of the dielectric breakdown in the narrow gap Mott insulators GaTa$_4$Se$8-x}$Te$_x$ was conducted, and the authors found that the I-V characteristics and the magnitude of the threshold electric field do not correspond to a Zener breakdown, but rather to an avalanche breakdown.
Abstract: Mott transitions induced by strong electric fields are receiving a growing interest. Recent theoretical proposals have focused on the Zener dielectric breakdown in Mott insulators, however experimental studies are still too scarce to conclude about the mechanism. Here we report a study of the dielectric breakdown in the narrow gap Mott insulators GaTa$_4$Se$_{8-x}$Te$_x$. We find that the I-V characteristics and the magnitude of the threshold electric field (E$_{th}$) do not correspond to a Zener breakdown, but rather to an avalanche breakdown. E$_{th}$ increases as a power law of the Mott Hubbard gap (E$_g$), in surprising agreement with the universal law E$_{th}$ $\propto$E$_g$$^{2.5}$ reported for avalanche breakdown in semiconductors. However, the delay time for the avalanche that we observe in Mott insulators is over three orders of magnitude longer than in conventional semiconductors. Our results suggest that the electric field induces local insulator-to-metal Mott transitions that create conductive domains which grow to form filamentary paths across the sample.

95 citations


Journal ArticleDOI
TL;DR: In this article, it was shown that electron correlations lead to a bad metallic state in chalcogenides FeSe and FeTe despite the intermediate value of the Hubbard repulsion U and Hund's rule coupling J.
Abstract: We show that electron correlations lead to a bad metallic state in chalcogenides FeSe and FeTe despite the intermediate value of the Hubbard repulsion U and Hund’s rule coupling J . The evolution of the quasiparticle weight Z as a function of the interaction terms reveals a clear crossover at U � 2.5 eV. In the weak coupling limit Z decreases for all correlated d orbitals as a function of U and beyond the crossover coupling they become weakly dependent on U while strongly dependent on J . A marked orbital dependence of the Z’s emerges even if in general the orbital-selective Mott transition only occurs for relatively large values of U . This two-stage reduction of the quasiparticle coherence due to the combined effect of Hubbard U and the Hund’s J suggests that the iron-based superconductors can be referred to as Hund’s correlated metals.

92 citations


Journal ArticleDOI
TL;DR: In this article, the experimentally established phase diagram of the half-filled Hubbard model features the existence of three distinct finite-temperature regimes, separated by extended crossover regions, and a number of crossover lines can be defined to span those regions, which explore in quantitative detail within the framework of dynamical mean-field theory.
Abstract: The experimentally established phase diagram of the half-filled Hubbard model features the existence of three distinct finite-temperature regimes, separated by extended crossover regions. A number of crossover lines can be defined to span those regions, which we explore in quantitative detail within the framework of dynamical mean-field theory. Most significantly, the high-temperature crossover between the bad metal and Mott-insulator regimes displays a number of phenomena marking the gradual development of the Mott insulating state. We discuss the quantum critical scaling behavior found in this regime, and propose methods to facilitate its possible experimental observation. We also introduce the concept of quantum Widom lines and present a detailed discussion that highlights its physical meaning when used in the context of quantum-phase transitions.

83 citations


Journal ArticleDOI
TL;DR: In this paper, angle-resolved photoemission spectroscopy was used to make direct experimental determinations of intra-and intercell coupling parameters as well as Mott correlations and gap sizes.
Abstract: We studied Sr${}_{2}$IrO${}_{4}$ and Sr${}_{3}$Ir${}_{2}$O${}_{7}$ using angle-resolved photoemission spectroscopy, making direct experimental determinations of intra- and intercell coupling parameters as well as Mott correlations and gap sizes. The results are generally consistent with LDA+$U$+spin-orbit coupling calculations, though the calculations missed the momentum positions of the dominant electronic states and neglected the importance of intercell coupling on the size of the Mott gap. The calculations also ignore the correlation-induced spectral peak widths, which are critical for making a connection to activation energies determined from transport experiments. The data indicate a dimensionality-controlled Mott transition in these 5$d$ transition-metal oxides.

80 citations


Journal ArticleDOI
TL;DR: In this article, the antiferromagnetic ground state and the metamagnetic transition to the ferromagnetic state of CsCl-ordered FeRh epilayers have been characterized using Hall and magnetoresistance measurements.
Abstract: The antiferromagnetic ground state and the metamagnetic transition to the ferromagnetic state of CsCl-ordered FeRh epilayers have been characterized using Hall and magnetoresistance measurements. On cooling into the ground state, the metamagnetic transition is found to coincide with a suppression in carrier density of at least an order of magnitude below the typical metallic level that is shown by the ferromagnetic state. The carrier density in the antiferromagnetic state is limited by intrinsic doping from Fe/Rh substitution defects, with approximately two electrons per pair of atoms swapped, showing that the decrease in carrier density could be even larger in more perfect specimens. The surprisingly large change in carrier density is a clear quantitative indication of the extent of change at the Fermi surface at the metamagnetic transition, confirming that entropy release at the transition is of electronic origin, and hence that an electronic transition underlies the metamagnetic transition. Regarding the nature of this electronic transition, it is suggested that an orbital selective Mott transition, selective to strongly-correlated Fe 3d electrons, could cause the reduction in the Fermi surface and change in sign of the magnetic exchange from FM to AF on cooling.

79 citations


Journal ArticleDOI
TL;DR: In this paper, a high-resolution angle-resolved photoemission spectroscopy (ARPES) was performed on layered chalcogenide 1$T$-TaS${}_{2\ensuremath{-}x}$Se${}{x}
Abstract: We have performed high-resolution angle-resolved photoemission spectroscopy (ARPES) of layered chalcogenide 1$T$-TaS${}_{2\ensuremath{-}x}$Se${}_{x}$ to elucidate the electronic states especially relevant to the occurrence of superconductivity. We found a direct evidence for a Ta-5$d$-derived electron pocket associated with the superconductivity, which is fragile against a Mott-gap opening observed in the insulating ground state for S-rich samples. In particular, a strong electron-electron interaction-induced Mott gap driven by a Ta 5$d$ orbital also exists in the metallic ground state for Se-rich samples, while finite ARPES intensity near the Fermi level likely originating from a Se 4$p$ orbital survives, indicative of the orbital-selective nature of the Mott transition. Present results suggest that effective electron correlation and $p$-$d$ hybridization play a crucial role to tune the superconductivity and Mott metal-insulator transition.

75 citations


Journal ArticleDOI
TL;DR: In this paper, the role of electron-electron interaction in a two-band Hubbard model based on the Bernevig-Hughes-Zhang Hamiltonian exhibiting the quantum spin Hall (QSH) effect was investigated.
Abstract: We investigate the role of electron-electron interaction in a two-band Hubbard model based on the Bernevig-Hughes-Zhang Hamiltonian exhibiting the quantum spin Hall (QSH) effect. By means of dynamical mean-field theory, we find that a system with topologically trivial noninteracting parameters can be driven into a QSH phase at finite interaction strength by virtue of local dynamical fluctuations. For very strong interaction, the system reenters a trivial insulating phase by going through a Mott transition. We obtain the phase diagram of our model by direct calculation of the bulk topological invariant of the interacting system in terms of its single-particle Green's function.

63 citations


Journal ArticleDOI
TL;DR: In this paper, a detailed discussion of bound state dissociation in hot, dense matter (Mott effect) in terms of the in-medium scattering phase shift of two-particle correlations is presented.
Abstract: An important first step in the program of hadronization of chiral quark models is the bosonization in meson and diquark channels. This procedure is presented at finite temperatures and chemical potentials for the SU(2) flavor case of the NJL model with special emphasis on the mixing between scalar meson and scalar diquark modes which occurs in the 2SC color superconducting phase. The thermodynamic potential is obtained in the gaussian approximation for the meson and diquark fields and it is given the Beth-Uhlenbeck form. This allows a detailed discussion of bound state dissociation in hot, dense matter (Mott effect) in terms of the in-medium scattering phase shift of two-particle correlations. It is shown for the case without meson-diquark mixing that the phase shift can be separated into a continuum and a resonance part. In the latter, the Mott transition manifests itself by a change of the phase shift at threshold by \pi\ in accordance with Levinson's theorem, when a bound state transforms to a resonance in the scattering continuum. The consequences for the contribution of pionic correlations to the pressure are discussed by evaluating the Beth-Uhlenbeck equation of state in different approximations. A similar discussion is performed for the scalar diquark channel in the normal phase. Further developments and applications of the developed approach are outlined.

Journal ArticleDOI
TL;DR: In this paper, the authors performed x-ray diffraction experiments at the L absorption edges for the post-perovskite-type compound CaIrO(3) with a (t(2g))^{5} electronic configuration and showed that the magnetic structure was a striped ordering with an antiferromagnetic moment along the c axis.
Abstract: We performed resonant x-ray diffraction experiments at the L absorption edges for the post-perovskite-type compound CaIrO(3) with a (t(2g))^{5} electronic configuration. By observing the magnetic signals, we could clearly see that the magnetic structure was a striped ordering with an antiferromagnetic moment along the c axis and that the wave function of a t(2g) hole is strongly spin-orbit entangled, the J(eff)=1/2 state. The observed spin arrangement is consistent with theoretical work predicting a unique superexchange interaction in the J(eff)=1/2 state and points to the universal importance of the spin-orbit coupling in Ir oxides, independent of the octahedral connectivity and lattice topology. We also propose that nonmagnetic resonant scattering is a powerful tool for unraveling an orbital state even in a metallic iridate.

Journal ArticleDOI
TL;DR: The overall evolution of the optical conductivity demonstrates that GaTa(4)Se(8) is a Mott insulator which undergoes a bandwidth-controlled Mott metal-insulator transition under pressure, in remarkably good agreement with theory.
Abstract: The optical properties of a GaTa(4)Se(8) single crystal are investigated under high pressure. At ambient pressure, the optical conductivity exhibits a charge gap of ≈0.12 eV and a broad midinfrared band at ≈0.55 eV. As pressure is increased, the low energy spectral weight is strongly enhanced and the optical gap is rapidly filled, pointing to an insulator to metal transition around 6 GPa. The overall evolution of the optical conductivity demonstrates that GaTa(4)Se(8) is a Mott insulator which undergoes a bandwidth-controlled Mott metal-insulator transition under pressure, in remarkably good agreement with theory. With the use of our optical data and ab initio band structure calculations, our results were successfully compared to the (U/D, T/D) phase diagram predicted by dynamical mean field theory for strongly correlated systems.

Journal ArticleDOI
TL;DR: It is shown that Sr(2)CrOsO(6) is a Mott insulator, where the large Cr U(1) compensates for the small Os U(2), and predicted characteristic magnetic structure factor peaks that can be probed by neutron experiments.
Abstract: We propose a model for the multiorbital material Sr(2)CrOsO(6), an insulator with remarkable magnetic properties and the highest T(c) ~/= 725 K among all perovskites with a net moment. We derive a new criterion for the Mott transition (U(1)U(2))(1/2)>2.5W by using slave-rotor mean field theory, where W is the bandwidth and U(1(2)) are the effective Coulomb interactions on Cr(Os) including Hund's coupling. We show that Sr(2)CrOsO(6) is a Mott insulator, where the large Cr U(1) compensates for the small Os U(2). The spin sector is described by a frustrated antiferromagnetic Heisenberg model that naturally explains the net moment arising from canting and also the observed nonmonotonic magnetization M(T). We predict characteristic magnetic structure factor peaks that can be probed by neutron experiments.

Journal ArticleDOI
TL;DR: It is found that the Mott transition is preempted by a magnetic transition occurring at a lower value of the interaction U, and therefore the spin liquid phase does not occur in the Hubbard model on the honeycomb lattice.
Abstract: The question of the existence of a spin liquid state in the half-filled Hubbard model on the honeycomb (also known as graphene) lattice is revisited. The variational cluster approximation, the cluster dynamical mean field theory, and the cluster dynamical impurity approximation are applied to various cluster systems. Assuming that the spin liquid phase coincides with the Mott insulating phase in this nonfrustrated system, we find that the Mott transition is preempted by a magnetic transition occurring at a lower value of the interaction $U$, and therefore the spin liquid phase does not occur. This conclusion is obtained using clusters with two bath orbitals connected to each boundary cluster site. We argue that using a single bath orbital per boundary site is insufficient and leads to the erroneous conclusion that the system is gapped for all nonzero values of $U$.

Journal ArticleDOI
TL;DR: In this article, a series of ultrathin epitaxial films of EuNiO${}_{3}$ (ENO) were grown on a set of substrates traversing from compressive ($\ensuremath{-}2.4%$) to tensile (+2.5%) lattice mismatch.
Abstract: A series of ultrathin epitaxial films of EuNiO${}_{3}$ (ENO) were grown on a set of substrates traversing from compressive ($\ensuremath{-}2.4%$) to tensile (+2.5%) lattice mismatch. On moving from tensile to compressive strain, transport measurements demonstrate a successively suppressed Mott insulating behavior eventually resulting in a complete suppression of the insulating state at high compressive strain. Corroborating these findings, resonant soft x-ray absorption spectroscopy at the Ni ${L}_{3,2}$ edge reveals the presence of a strong multiplet splitting in the tensile strained samples that progressively weakens with increasing compressive strain. Combined with cluster calculations, the results show how cumulatively enhanced covalency (i.e., bandwidth) between Ni $d$ and O $p$ orbital derived states leads to the emergent metallic ground state not attainable in the bulk ENO.

Journal ArticleDOI
TL;DR: In this article, the authors considered the extreme limit of quantum confinement based on ionic discontinuity doping, and argued that a unique dimer Mott insulator can be achieved for the case of a single SrO layer in a GdTiO${}_{3}$ matrix.
Abstract: We study the problem of designing an artificial Mott insulator in a correlated oxide heterostructure. We consider the extreme limit of quantum confinement based on ionic discontinuity doping, and argue that a unique dimer Mott insulator can be achieved for the case of a single SrO layer in a GdTiO${}_{3}$ matrix. In the dimer Mott insulator, electrons are localized not to individual atoms but to bonding orbitals on molecular dimers formed across a bilayer of two TiO${}_{2}$ planes and are analogous to the Mott insulating state of Hubbard ladders, studied in the 1990s. We verify the existence of the dimer Mott insulator through both ab initio and model Hamiltonian studies, and find for reasonable values of Hubbard $U$ that it is stable and ferromagnetic with a clear bonding/antibonding splitting of order 0.65 eV and a significant smaller Mott gap whose size depends upon $U$. The combined effects of polar discontinuity, strong structural relaxation, and electron correlations all contribute to the realization of this unique ground state.

Journal ArticleDOI
TL;DR: In this article, the authors considered a doped Mott insulator in the large dimensionality limit within both the recently developed extremely correlated Fermi liquid (ECFL) theory and the dynamical mean field theory (DMFT) and obtained an analytical ansatz, which provides a good quantitative description of the DMFT self-energy down to hole doping level.
Abstract: We consider a doped Mott insulator in the large dimensionality limit within both the recently developed extremely correlated Fermi liquid (ECFL) theory and the dynamical mean-field theory (DMFT). We show that the general structure of the ECFL sheds light on the rich frequency dependence of the DMFT self-energy. Using the leading Fermi liquid form of the two key auxiliary functions introduced in the ECFL theory, we obtain an analytical ansatz, which provides a good quantitative description of the DMFT self-energy down to hole doping level $\ensuremath{\delta}\ensuremath{\simeq}0.2$. In particular, the deviation from Fermi liquid behavior and the corresponding particle-hole asymmetry developing at a low-energy scale are well reproduced by this ansatz. The DMFT being exact at large dimensionality, our study also provides a benchmark of the ECFL in this limit. We find that the main features of the self-energy and spectral line shape are well reproduced by the ECFL calculations in the $O({\ensuremath{\lambda}}^{2})$ minimal scheme, for not too low doping level $\ensuremath{\delta}\ensuremath{\gtrsim}0.3$. The DMFT calculations reported here are performed using a state-of-the-art numerical renormalization-group impurity solver, which yields accurate results down to an unprecedentedly small doping level $\ensuremath{\delta}\ensuremath{\lesssim}0.001$.

Journal ArticleDOI
TL;DR: In this article, it was shown that topological Mott insulators can emerge from topologically trivial states due to strong interactions between atoms for atomic mixtures trapped in one-dimensional optical superlattice systems.
Abstract: We present exactly solvable examples showing that topological Mott insulators can emerge from topologically trivial states due to strong interactions between atoms for atomic mixtures trapped in one-dimensional optical superlattice systems. The topological Mott insulating state is characterized by a nonzero Chern number and appears in the strongly interacting limit as long as the total band filling factor is an integer that is not sensitive to the filling of each component. The topological nature of the Mott phase can be revealed by observing the density profile of the trapped system. Our results can be also generalized to multicomponent atomic systems.

Journal ArticleDOI
TL;DR: The spectra and spin susceptibilities of a Hubbard model with two bands having different bandwidths but the same on-site interaction, with parameters close to the orbital-selective Mott transition, are calculated using dynamical mean-field theory.
Abstract: We calculate the spectra and spin susceptibilities of a Hubbard model with two bands having different bandwidths but the same on-site interaction, with parameters close to the orbital-selective Mott transition, using dynamical mean-field theory. If the Hund's rule coupling is sufficiently strong, one common energy scale emerges which characterizes both the location of kinks in the self-energy and extrema of the diagonal spin susceptibilities. A physical explanation of this energy scale is derived from a Kondo-type model. We infer that for multiband systems local spin dynamics rather than spectral functions determine the location of kinks in the effective band structure.

Journal ArticleDOI
TL;DR: In this paper, the authors consider the Mott phase of the Hubbard model in a setup similar to ultracold-gases experiments and study the three-dimensional expansion of a cloud into an optical lattice after removing the confining potential.
Abstract: Non-equilibrium quantum phenomena are ubiquitous in nature. Yet, theoretical predictions on the real-time dynamics of many-body quantum systems remain formidably challenging, especially for high dimensions, strong interactions or disordered samples. Here we consider a notable paradigm of strongly correlated Fermi systems, the Mott phase of the Hubbard model, in a setup resembling ultracold-gases experiments. We study the three-dimensional expansion of a cloud into an optical lattice after removing the confining potential. We use time-dependent density-functional theory combined with dynamical mean-field theory, considering interactions below and above the Mott threshold, as well as disorder effects. At strong coupling, we observe multiple timescales in the melting of the Mott wedding-cake structure, as the Mott plateau persist orders of magnitude longer than the band insulating core. We also show that disorder destabilises the Mott plateau and that, compared to a clean setup, localisation can decrease, creating an interesting dynamic crossover during the expansion.

Journal ArticleDOI
TL;DR: In this paper, the authors review the recent theoretical progress on the metal-to-insulator transition in multiorbital models for the iron-based superconductors and propose an overall phase diagram for the alkaline iron selenides.
Abstract: The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the multi-orbital nature of the electronic excitations. It is then important to understand the orbital-dependent effects of electron correlations. In this paper we review the recent theoretical progresses on the metal-to-insulator transition in multiorbital models for the iron-based superconductors. These include studies of models that contain at least the 3d xy and 3d xz/yz models, using a slave-spin technique. For commensurate filling corresponding to that of the parent iron pnictides and chalcogenideds, a Mott transition generally exists in all these models. Near the Mott transition, a strongly correlated metal exhibiting bad metal features and strong orbital selectivity is stabilized due to the interplay of Hund's coupling and orbital-degeneracy breaking. Particularly for the alkaline iron selenides, the ordered vacancies effectively reduce the kinetic energy, thereby pushing the system further into the Mott-insulating regime; in the metallic state, there exists an orbital-selective Mott phase in which the iron 3d xy orbital is Mott localized while the other 3d orbitals are still itinerant. An overall phase diagram for the alkaline iron selenides has been proposed, in which the orbital-selective Mott phase connects between the superconducting phase and the Mott-insulating parent state.

Journal ArticleDOI
TL;DR: In this paper, the interplay between topological effects and Mott physics in two dimensions on a graphenel-like lattice was investigated via a tight-binding model containing an anisotropic spin-orbit coupling on the next-nearest-neighbor links and the Hubbard interaction.
Abstract: We investigate the interplay between topological effects and Mott physics in two dimensions on a graphenelike lattice, via a tight-binding model containing an anisotropic spin-orbit coupling on the next-nearest-neighbor links and the Hubbard interaction. We thoroughly analyze the resulting phases, namely, a topological band insulator phase or anisotropic quantum spin Hall phase until moderate-strength interactions and a N\'eel and a spiral phase at large interactions in the Mott regime, as well as the formation of a spin-orbital texture in the bulk at the Mott transition. The emergent magnetic orders at large interactions are analyzed through a spin-wave analysis and mathematical arguments. At weak interactions, by analogy with the Kane-Mele model, the system is described through a ${\mathbb{Z}}_{2}$ topological invariant. In addition, we describe how the anisotropic spin-orbit coupling already produces an exotic spin texture at the edges. The physics at the Mott transition is described in terms of a U(1) slave-rotor theory. Taking into account gauge fluctuations around the mean-field saddle-point solution, we show how the spin texture now proliferates into the bulk above the Mott critical point. The latter emerges from the response of the spinons under the insertion of monopoles and this becomes more pronounced as the spin-orbit coupling becomes prevalent. We discuss implications of our predictions for thin films of the iridate compound Na${}_{2}$IrO${}_{3}$ and also graphenelike systems.

Journal ArticleDOI
TL;DR: In this paper, the authors review the recent theoretical progress on the metal-to-insulator transition in multiorbital models for the iron-based superconductors and propose an overall phase diagram for the alkaline iron selenides.
Abstract: The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the multiorbital nature of the electronic excitations. It is then important to understand the orbital-dependent effects of electron correlations. In this paper we review the recent theoretical progresses on the metal-to-insulator transition in multiorbital models for the iron-based superconductors. These include studies of models that contain at least the 3 d xy and 3 d xz / yz models, using a slave-spin technique. For commensurate filling corresponding to that of the parent iron pnictides and chalcogenideds, a Mott transition generally exists in all these models. Near the Mott transition, a strongly correlated metal exhibiting bad metal features and strong orbital selectivity is stabilized due to the interplay of Hund’s coupling and orbital-degeneracy breaking. Particularly for the alkaline iron selenides, the ordered vacancies effectively reduce the kinetic energy, thereby pushing the system further into the Mott-insulating regime; in the metallic state, there exists an orbital-selective Mott phase in which the iron 3 d xy orbital is Mott localized while the other 3 d orbitals are still itinerant. An overall phase diagram for the alkaline iron selenides has been proposed, in which the orbital-selective Mott phase connects between the superconducting phase and the Mott-insulating parent state.

Journal ArticleDOI
TL;DR: In this paper, the phase diagram of the square lattice bilayer Hubbard model at half filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of interlayer hopping t_perp and on-site Coulomb repulsion U.
Abstract: We investigate the phase diagram of the square lattice bilayer Hubbard model at half filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of interlayer hopping t_perp and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: An antiferromagnetic Mott insulator at small t_perp for any value of U and a band insulator at large t_perp. At large U values we approach the Heisenberg limit. The paramagnetic phase diagram shows at small t_perp a metal to Mott insulator transition at moderate U values and a Mott to band insulator transition at larger U values. We also observe a reentrant Mott insulator to metal transition and metal to band insulator transition for increasing t_perp in the range of 5.5t < U < 7.5t. Finally, we discuss the obtained phase diagrams in relation to previous studies based on different many-body approaches.

Journal ArticleDOI
TL;DR: In this article, an analysis of the electrical transport, magnetic, and structural properties with pressure increase and at the transition range suggests that the coinciding IM transition, magnetic moment, and volume collapse at around 50 GPa are caused by the closure of the Hubbard gap driven by the high-spin to low-spin (HS-LS) transition.
Abstract: ossbauer spectroscopy (MS), Raman spectroscopy, and electrical resistance measurements. These studies have shown the onset of the Mott transition (MT) at a pressure of around 50 GPa, leading to the collapse of Fe 3+ magnetic moments and to the insulator-metal (IM) transition. The observed onset of the MT corroborates with the recently reported isostructural transition accompanied by a 12% decrease in the Fe polyhedral volume. An analysis of the alterations of the electrical transport, magnetic, and structural properties with pressure increase and at the transition range suggests that the coinciding IM transition, magnetic moment, and volume collapse at around 50 GPa are caused by the closure of the Hubbard gap driven by the high-spin to low-spin (HS-LS) transition. At that, since MS did not reveal any evidence of a preceding LS state, it could be inferred that the HS-LS transition immediately leads to an IM transition and complete collapse of magnetism.

Journal ArticleDOI
TL;DR: In this article, a dynamical layer theory was proposed to estimate the charge redistribution at the final step from minimization of a function of the layer fillings, in the spirit of Thomas-Fermi theory.
Abstract: The p-n junction has provided the basis for the semiconductor-device industry. Investigations of p-n junctions based on Mott insulators is still in its infancy. Layered Mott insulators, such as the cuprates or other transition metal-oxides, present a special challenge since strong in-plane correlations are important. Here we model the planes carefully using plaquette Cellular Dynamical Mean Field Theory with an exact diagonalization solver. The energy associated with inter-plane hopping is neglected compared with the long-range Coulomb interaction that we treat in the Hartree-Fock approximation. Within this new approach, "Dynamical Layer Theory", the charge redistribution is obtained at the final step from minimization of a function of the layer fillings. A simple analytical description of the solution, in the spirit of Thomas-Fermi theory, reproduces quite accurately the numerical results. Various interesting charge reconstructions can be obtained by varying the Fermi energy differences between both sides of the junction. One can even obtain quasi-two dimensional charge carriers at the interface, in the middle of a Mott insulating layer. The density of states as a function of position does not follow the simple band bending picture of semiconductors.

Journal ArticleDOI
TL;DR: In this article, the ground state properties of spin-1 bosons trapped in a square optical lattice were studied using quantum Monte Carlo simulations, and the phase diagram was characterized by the mobility of the particles (Mott insulating or superfluid phase).
Abstract: We study, using quantum Monte Carlo (QMC) simulations, the ground state properties of spin-1 bosons trapped in a square optical lattice. The phase diagram is characterized by the mobility of the particles (Mott insulating or superfluid phase) and by their magnetic properties. For ferromagnetic on-site interactions, the whole phase diagram is ferromagnetic and the Mott insulators-superfluid phase transitions are second order. For antiferromagnetic on-site interactions, spin nematic order is found in the odd Mott lobes and in the superfluid phase. Furthermore, the superfluid-insulator phase transition is first or second order depending on whether the density in the Mott is even or odd. Inside the even Mott lobes we observe a singlet-to-nematic transition for certain values of the interactions. This transition appears to be first order.

Journal ArticleDOI
TL;DR: Dynamical mean-field theory reveals the pinball liquid phase, a charge ordered metallic phase containing quasilocalized (pins) coexisting with itinerant (balls) electrons, and finds an antiferromagnetic Kondo coupling between pins and balls and strong quasiparticle renormalization.
Abstract: Institut N´eel-CNRS and Universit´e Joseph Fourier,Boˆite Postale 166, F-38042 Grenoble Cedex 9, France(Dated: September 12, 2013)We study charge ordering driven by Coulomb interactions on triangular lattices relevant to theWigner-Mott transition in two dimensions. Dynamical mean-field theory reveals the pinball liquidphase, a charge ordered metallic phase containing quasi-localized (pins) coexisting with itinerant(balls) electrons. Based on an effective periodic Anderson model for this phase, we find an an-tiferromagnetic Kondo coupling between pins and balls and strong quasiparticle renormalization.Non-Fermi liquid behavior can occur in such charge ordered systems due to spin-flip scattering ofitinerant electrons off the pins in analogy with heavy fermion compounds.

Journal ArticleDOI
17 Jul 2013
TL;DR: In this paper, the pseudogap was shown to have an s-wave-like full-gap structure, distinct from the d-wave superconducting gap, in underdoped cuprate superconductors, based on insights obtained by a cluster extension of the dynamical mean field theory for the doped 2D Mott insulator.
Abstract: Recent theoretical studies on the origin of the pseudogap emerging in underdoped cuprate superconductors are overviewed, based on insights obtained by a cluster extension of the dynamical mean field theory (cDMFT) for the doped two-dimensional (2D) Mott insulator. The pseudogap obtained in the cDMFT shows an s-wave-like full-gap structure, distinct from the d-wave superconducting gap. The zero-temperature electronic structure supports that a non-Fermi liquid phase exists and underlies the pseudogap. The non-Fermi liquid phase is separated from the larger-doped Fermi liquid by topological transitions of the Fermi surface and an emergence of zeros of Green's function. A coexisting evolution of the poles (Fermi surface) and zeros of the Green's function is a unique feature of the pseudogap phase. The spectra well reproduce the arc/pocket formation, together with basic experimental properties of the pseudogap phase in the cuprates. Furthermore, a full-gap structure is supported by a comparison with the results of Raman experiments. The overall feature supports the proximity of the Mott insulator and the significance of the quantum criticality of the Mott transition. These numerical results are further favorably interpreted by extending the exciton concept, known in semiconductors, to doped Mott insulators. In this composite fermion (CF) theory, the pseudogap emerges as a gap arising from a hybridization of the quasiparticle (QP) with the CF. The pairing channel opening between a QP and a CF solves the puzzle of the dichotomy between the d-wave superconductivity and the precursory insulating gap in the same antinodal region. A mechanism of superconductivity emerges from this pairing.