Pyrochlore oxides are fascinating systems where strong, multi-orbital correlations in concert with geometrical frustration give rise to unanticipated physical properties. The detailed mechanism of the insulator-metal transitions (IMT) underpinning these phenomena is, however, ill-understood in general. Motivated thereby, we study the IMT in the pyrochlore ${\rm Hg_{2}Ru_{2}O_{7}}$ using LDA+DMFT. In contrast to the well-known examples of Mott transitions in TMO, we show that, in the negative charge-transfer situation characteristic of \hg, self-doping plays a crucial role in the emergence of an orbital-selective IMT. We argue that this mechanism has broader relevance to other correlated pyrochlore oxides.
We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling $N$ and crystal field splitting $Δ$. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicate…
It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high $T_{\rm c}$ cuprates. The doping effect, including the electron-hole doping asymmetry, may be more straightforward in doped organic Mott insulators owing to their simple electronic structures. Here we investigate the doping asymmetry of an organic Mott insulator by carrying out electric-double-layer transistor measurements and using cluster perturbation theory. The calculations predict that strongly anisotropic suppression of the spe…
The physics of doping a Mott insulator is investigated in the presence of a solid-vacuum interface. Using the embedding approach for dynamical mean field theory we show that the change in surface spectral evolution in a doped Mott insulator is driven by a combination of charge transfer effects and enhanced correlation effects. Approaching a Mott insulating phase from the metallic side, we show that a dead layer forms at the surface of the solid, where quasiparticle amplitudes are exponentially suppressed. Surface correlation and charge transfer effects can be strongly impacted by changes of th…
Electrostatic doping into an $n$-type Mott insulator Sm$_{2}$CuO$_{4}$ has been successfully achieved with use of the heterojunction with an $n$-type band semiconductor Nb-doped SrTiO$_{3}$. The junction exhibits rectifying current-voltage characteristics due to the interface band discontinuity and the formation of depleted region. The application of reverse bias electric field on this junction enables the field-effect electron doping (presumably up to 6% per Cu atom) to the Mott insulator. The electro-modulation absorption spectroscopy could clearly show a large modification of the Mott-gap s…
We argue that interesting strongly correlated two-dimensional electron systems can be created by modulation doping near a heterojunction between Mott insulators. Because the dopant atoms are remote from the carrier system, the electronic system will be weakly disordered. We argue that the competition between different ordered states can be engineered by choosing appropriate values for the dopant density and the setback distance of the doping layer. In particular larger setback distances favor two-dimensional antiferromagnetism over ferromagnetism. We estimate some key properties of modulation-…
High-$T_{\rm C}$ superconductors show anomalous transport properties in their normal states, such as the bad-metal and pseudogap behaviors. To discuss their origins, it is important to speculate whether these behaviors are material-dependent or universal phenomena in the proximity of the Mott transition, by investigating similar but different material systems. An organic Mott transistor is suitable for this purpose owing to the adjacency between the two-dimensional Mott insulating and superconducting states, simple electronic properties, and high doping/bandwidth tunability in the same sample.…
The insulator to metal transition in LaTiO_3 induced by La substitution via Sr is studied within multi-band exact diagonalization dynamical mean field theory at finite temperatures. It is shown that weak hole doping triggers a large interorbital charge transfer, with simultaneous electron and hole doping of t2g subbands. The transition is first-order and exhibits phase separation between insulator and metal. In the metallic phase, subband compressibilities become very large and have opposite signs. Electron doping gives rise to an interorbital charge flow in the same direction as hole doping. …
We reinvestigate the bandwidth-control and doping-control Mott transitions (BCMT and DCMT) from a spin liquid Mott insulator to a Fermi liquid metal based on the slave-rotor representation of the Hubbard model,\cite{Florens} where the Mott transitions are described by softening of bosonic collective excitations. We find that the nature of the insulating phase away from half filling is different from that of half filling in the respect that a charge density wave coexists with a topological order (spin liquid) away from half filling because the condensation of vortices generically breaks transla…
A recent paper by Bluemer et al. [cond-mat/0609758] again criticizes earlier QMC/DMFT results by Liebsch [Phys. Rev. B {\bf 70}, 165103 (2004)]. This criticism is shown to be unfounded.
We investigate the double layered Sr$_{3}$(Ru$_{1-x}$Mn$_{x}$)$_{2}$O$_{7}$ and its doping-induced quantum phase transition (QPT) from a metal to an antiferromagnetic (AFM) Mott insulator. Using spectroscopic imaging with the scanning tunneling microscope (STM), we visualize the evolution of the electronic states in real- and momentum-space. We find a partial-gap in the tunneling density of states at the Fermi energy (E$_{F}$) that develops with doping to form a weak Mott insulating (Δ ~ 100meV) state. Near the QPT, we discover a spatial electronic reorganization into a commensurate checkerboa…
A powerful new impurity solver is shown to permit a systematic study of the doping driven Mott transition in a one-band Hubbard model within the framework of single-site dynamical mean field theory. At small dopings and large interaction strengths we are able access low enough temperatures that a reliable extrapolation to temperature T=0 may be performed, and ground state energies of insulating and metallic states may be compared. We find that the T=0 doping-driven transition is of second order and is characterized by an interaction-strength dependent electronic compressibility, which vanishes…
We present the carrier transport properties in the vicinity of a doping-driven Mott transition observed at a field-effect transistor (FET) channel using a single crystal of the typical two-dimensional organic Mott insulator $κ$-(BEDT-TTF)$_2$CuN(CN)$_2$Cl ($κ$-Cl).The FET shows a continuous metal$-$insulator transition (MIT) as electrostatic doping proceeds. The phase transition appears to involve two-step crossovers, one in Hall measurement and the other in conductivity measurement. The crossover in conductivity occurs around the conductance quantum $e^2/h$ , and hence is not associated with …
We present electronic structure calculations of a CrO$_{2}$ compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO$_{2}$ in the paramagnetic state is a strongly-correlated Hund's metal with mixed-valent Cr ions. At high temperatures, CrO$_{2}$ shows an orbital-selective Mott phase, in which the Cr $d_{xy}$ orbital is Mott-localized while the other Cr $t_{2g}$ $d$ orbitals remain itinerant. When the temperature is lowered, the orbital-selective Mott state is found to evolve into a Kondo-like hea…
In the present paper, we systematically studied the possible Orbital selective Mott transition (OSMT) in the $t_{2g}$ system, which has three orbital degeneracy. The slave Boson mean field theory is generalized to the three band systems with full Hund's rule coupling including spin flip and pair hopping terms. A new type of Mott transition which is driven by the crystal field splitting or the lattice distortion is found is this model. We argue that this new type of Mott transition may relate to the puzzling phase in $Sr_{x}Ca_{2-x}RuO_4$.
We show within the slave boson technique, that the Anderson lattice model exhibits a Kondo breakdown quantum critical point (KB-QCP) where the hybridization goes to zero at zero temper- ature. At this fixed point, the f-electrons experience as well a selective Mott transition separating a local-moment phase from a Kondo-screened phase. The presence of a multi-scale QCP in the An- derson lattice in the absence of magnetism is discussed in the context of heavy fermion compounds. This study is the first evidence for a selective Mott transition in the Anderson lattice.
The microscopic mechanism of the metal-insulator transition is studied by orbital-resolved 51V NMR spectroscopy in a prototype of the quasi-one-dimensional system V6O13. We uncover that the transition involves a site-selective d orbital order lifting twofold orbital degeneracy in one of the two VO6 chains. The other chain leaves paramagnetic moments on the singly occupied dxy orbital across the transition. The two chains respectively stabilize an orbital-assisted spin-Peierls state and an antiferromagnetic long-range order in the ground state. The site-selective Mott transition may be a source…
We present evidence for hole injection into LaAlO3/LaVO3/LaAlO3 quantum wells near a polar surface of LaAlO3 (001). As the surface is brought in proximity to the LaVO3 layer, an exponential drop in resistance and a decreasing positive Seebeck coefficient is observed below a characteristic coupling length of 10-15 unit cells. We attribute this behavior to a crossover from an atomic reconstruction of the AlO2-terminated LaAlO3 surface to an electronic reconstruction of the vanadium valence. These results suggest a general approach to tunable hole-doping in oxide thin film heterostructures.
We investigate the Mott transitions in two-band Hubbard models with different bandwidths. Applying dynamical mean field theory, we discuss the stability of itinerant quasi-particle states in each band. We demonstrate that separate Mott transitions occur at different Coulomb interaction strengths in general, which merge to a single transition only under special conditions. This kind of behavior may be relevant for the physics of the single-layer ruthenates, Ca$_{2-x}$Sr$_x$RuO$_4$.
We study possible Weyl semimetals of strongly-correlated electrons by investigating magnetotransport properties in pyrochlore R2Ir2O7 (R=rare-earth ions), choosing three types of R ions to design the exchange coupling scheme between R 4f and Ir 5d moments; non-magnetic Eu (4f6), isotropic Gd (4f7), and anisotropic Tb (4f8). In the doping-induced semimetallic state, distinctive features of magnetoresistance and Hall effect are observed in R=Gd and Tb compounds due to the effects of the exchange-enhanced isotropic and anisotropic Zeeman fields, respectively, exemplifying the double Weyl semimeta…
The paramagnetic phase of the one-band Hubbard model is studied at zero-temperature, within the framework of dynamical mean-field theory, and for general particle-hole asymmetry where a doping-induced Mott transition occurs. Our primary focus is the Mott insulator (MI) phase, and our main aim to establish what can be shown exactly about it. To handle the locally doubly-degenerate MI requires two distinct self-energies, which reflect the broken symmetry nature of the phase and together determine the standard single self-energy. Exact results are obtained for the local charge, local magnetic mom…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement with the high estimated value of the superexchange is obtained. The possibility of an electron-doped insulator-metal transition in $TiOCl$ is investigated in this scheme and a Mott-Hubbard transition with a jump in carrier density {\it inside} the metallic state is found. Clear, co-incident, discontinuous changes in orbital occupations are observed, showing …
We use the slave-spin mean-field approach to study particle-hole symmetric one- and two-band Hubbard models in presence of Hund's coupling interaction. By analytical analysis of Hamiltonian, we show that the locking of the two orbitals vs.\,orbital-selective Mott transition can be formulated within a Landau-Ginzburg framework. By applying the slave-spin mean-field to impurity problem, we are able to make a correspondence between impurity and lattice. We also consider the stability of the orbital selective Mott phase to the hybridization between the orbitals and study the limitations of the sla…
We study the effects of electron doping in Mott insulators containing d^4 ions such as Ru4+, Os4+, Rh5+, and Ir5+ with J=0 singlet ground state. Depending on the strength of the spin-orbit coupling, the undoped systems are either nonmagnetic or host an unusual, excitonic magnetism arising from a condensation of the excited J=1 triplet states of t_2g^4. We find that the interaction between J-excitons and doped carriers strongly supports ferromagnetism, converting both the nonmagnetic and antiferromagnetic phases of the parent insulator into a ferromagnetic metal, and further to a nonmagnetic me…
The dynamical mean-field theory is employed to study the orbital-selective Mott transition (OSMT) of the two-orbital Hubbard model with nearest neighbor hopping and next-nearest neighbor (NNN) hopping. The NNN hopping breaks the particle-hole symmetry at half filling and gives rise to an asymmetric density of states (DOS). Our calculations show that the broken symmetry of DOS benefits the OSMT, where the region of the orbital-selective Mott phase significantly extends with the increasing NNN hopping integral. We also find that Hund's rule coupling promotes OSMT by blocking the orbital fluctuat…
We study the effects of doping a Mott insulator on the honeycomb lattice where spins interact via direction dependent Kitaev couplings J_K, and weak antiferromagnetic Heisenberg couplings J. This model is known to have a spin liquid ground state and may potentially be realized in correlated insulators with strong spin orbit coupling. The effect of hole doping is studied within a t-J-J_K model, treated using the SU(2) slave boson formulation, which correctly captures the parent spin liquid. We find superconductor ground states with spin triplet pairing that spontaneously break time reversal sym…
We characterize the low-energy physics of the two-orbital Hubbard model in the orbital-selective Mott phase, in which one band is metallic and the other insulating. Using dynamical mean-field theory with the numerical renormalization group at zero temperature, we show that this phase has a ferromagnetic instability for any nonzero Hund's rule exchange interaction, which can be understood in terms of an effective spin-1 Kondo Hamiltonian. The metallic band therefore behaves as a singular Fermi liquid for which the self-energy has a logarithmic singularity at the Fermi energy.
Quantum phase transitions in metals are often accompanied by violations of Fermi liquid behavior in the quantum critical regime. Particularly fascinating are transitions beyond the Landau-Ginzburg-Wilson concept of a local order parameter. The breakdown of the Kondo effect in heavy-fermion metals constitutes a prime example of such a transition. Here, the strongly correlated f electrons become localized and disappear from the Fermi surface, implying that the transition is equivalent to an orbital-selective Mott transition, as has been discussed for multi-band transition-metal oxides. In this a…
We study a multi-band Hubbard model in its orbital selective Mott phase, in which localized electrons in a narrow band coexist with itinerant electrons in a wide band. The low-energy physics of this phase is shown to be closely related to that of a generalized double-exchange model. The high-temperature disordered phase thus differs from a Fermi liquid, and displays a finite scattering rate of the conduction electrons at the Fermi level, which depends continuously on the spin anisotropy.
Motivated by the commonplace observation of Mott insulators away from integer filling, we construct a simple thermodynamic argument for phase separation in first-order doping-driven Mott transitions. We show how to compute the critical dopings required to drive the Mott transition using electronic structure calculations for the titanate family of perovskites, finding good agreement with experiment. The theory predicts the transition is percolative and should exhibit Coulomb frustration.
We describe the T=0 quantum phase transition in heavy fermion systems as an orbital selective Mott transition (OSMT) using a cluster extension of dynamical mean field theory. This transition is characterized by the emergence of a new intermediate energy scale corresponding to the opening of a pseudogap and the vanishing of the low-energy hybridization between light and heavy electrons. We identify the fingerprint of Mott physics in heavy electron systems with the appearance of surfaces in momentum space where the self-energy diverges and we derive experimental consequences of this scenario for…
The effect of interorbital hopping on the orbital selective Mottness in a two-band correlation system is investigated by using the dynamical mean-field theory with the Lanczos method as impurity solver. We construct the phase diagram of the two-orbital Hubbard model with interorbital hopping ($t_{12})$, where the orbital selective Mott phases (OSMP) show different evolution trends. We find that the negative interorbital hopping ($t_{12}<0$) can enhance the OSMP regime upon tuning the effective bandwidth ratio. On the contrary, for the cases with positive interorbital hopping ($t_{12}>0$), the …
The insulator/metal transition induced by hole-doping due to neodymium vacancies of the Mott- Hubbard antiferromagnetic insulator, Nd1-xTiO3, is studied over the composition range 0.010(6) < x < 0.243(10). Insulating p-types conduction is found for x < 0.071(10). Anderson localization in the presence of a Mott-Hubbard gap, is the dominant localization mechanism for the range of 0.074(10) < x < 0.089(1) samples. For x < 0.089(1), n-type conduction is observed and the activation energy extrapolates to zero by x < 0.1. The 0.095(8) < x < 0.203(10) samples are Fermi-liquid metals and the effects o…
Mott transitions in the two-orbital Hubbard model with different bandwidths are investigated at finite temperatures. By means of the self-energy functional approach, we discuss the stability of the intermediate phase with one orbital localized and the other itinerant, which is caused by the orbital-selective Mott transition (OSMT). It is shown that the OSMT realizes two different coexistence regions at finite temperatures in accordance with the recent results of Liebsch. We further find that the particularly interesting behavior emerges around the special condition $U=U'$ and J=0, which includ…
The recent detailed study of quasi-one-dimensional iron-based ladders, with the $3d$ iron electronic density $n = 6$, has unveiled surprises, such as orbital-selective phases. However, similar studies for $n=6$ iron chains are still rare. Here, a three-orbital electronic Hubbard model was constructed to study the magnetic and electronic properties of the quasi-one-dimensional $n=6$ iron chain Ce$_2$O$_2$FeSe$_2$, with focus on the effect of doping. Specifically, introducing the Hubbard $U$ and Hund $J_{H}$ couplings and studying the model via the density matrix renormalization group, we report…
We present a theory describing the mechanism for the two-dimensional (2D) metal-insulator transition (MIT) in absence of disorder. A two-band Hubbard model is introduced, describing vacancy-interstitial pair excitations within the Wigner crystal. Kinetic energy gained by delocalizing such excitations is found to lead to an instability of the insulator to self-doping above a critical carrier concentration $n=n_c$, mapping the problem to a density-driven Mott MIT. This mechanism provides a natural microscopic picture of several puzzling experimental features, including the large effective mass e…
Doping-driven Mott transition from steady-state density functional theory
Universidad de Alicante（阿利坎特大学）；Universidad del País Vasco EHU（巴斯克大学）；IKERBASQUE, Basque Foundation for Science（伊克尔巴斯奎，巴斯克科学基金会）；Donostia International Physics Center (DIPC)（圣塞巴斯蒂安国际物理中心）
We study the phase transition in Cu-substituted iron-based superconductors with a new developed real-space Green's function method. We find that Cu substitution has strong effect on the orbital-selective Mott transition introduced by the Hund's rule coupling. The redistribution of the orbital occupancy which is caused by the increase of the Hund's rule coupling, gives rise to the Mott-Hubbard metal-insulator transition in the half-filled $d_{xy}$ orbital. We also find that more and more electronic states appear inside that Mott gap of the $d_{xy}$ orbital with the increase of Cu substitution, …
The anisotropic degenerate two-orbital Hubbard model is studied within dynamical mean-field theory at low temperatures. High-precision calculations on the basis of a refined quantum Monte Carlo (QMC) method reveal that two distinct orbital-selective Mott transitions occur for a bandwidth ratio of 2 even in the absence of spin-flip contributions to the Hund exchange. The second transition -- not seen in earlier studies using QMC, iterative perturbation theory, and exact diagonalization -- is clearly exposed in a low-frequency analysis of the self-energy and in local spectra.
Electrons in a simple correlated system behave either as itinerant charge carriers or as localized moments. However, there is growing evidence for the coexistence of itinerant electrons and local moments in transition metals with nearly degenerate $d$-orbitals. It demands one or more selective electron orbitals undergo the Mott transition while the others remain itinerant. Here we report the first observation of such an orbital selective Mott transition (OSMT) in Ca$_{1.8}$Sr$_{0.2}$RuO$_4$ by angle-resolved photoemission spectroscopy (ARPES). While we observed two sets of dispersing bands and…
We examine whether the Mott transition of a half-filled, two-orbital Hubbard model with unequal bandwidths occurs simultaneously for both bands or whether it is a two-stage process in which the orbital with narrower bandwith localizes first (giving rise to an intermediate `orbital-selective' Mott phase). This question is addressed using both dynamical mean-field theory, and a representation of fermion operators in terms of slave quantum spins, followed by a mean-field approximation (similar in spirit to a Gutzwiller approximation). In the latter approach, the Mott transition is found to be orb…
Using high-precision quantum Monte Carlo (QMC) simulations within the framework of dynamical mean field theory (DMFT), we show that the anisotropic degenerate two-orbital Hubbard model contains two consecutive orbital-selective Mott transitions (OSMTs) even in the absence of spin-flip terms and pair-hopping processes. In order to reveal the second transition we carefully analyze the low-frequency part of the self-energy and the local spectral functions. This paper extends our previous work to lower temperatures. We discuss the nature - in particular the order - of both Mott transitions and lis…
We demonstrate the ability to visualize real-space dynamics of charge gap and magnon excitations in the Mott phase of the single-band Hubbard model and the remnants of these excitations with hole or electron doping. At short times, the character of magnetic and charge excitations is maintained even for large doping away from the Mott and antiferromagnetic phases. Doping influences both the real-space patterns and long timescales of these excitations with a clear carrier asymmetry attributable to particle-hole symmetry breaking in the underlying model. Further, a rapidly-oscillating charge dens…
While a specific kind of strange metal is increasingly found to be the "normal" states in a wide variety of unconventional superconductors, its microscopic origin is presently a hotly debated enigma. Using dynamical mean-field theory (DMFT) based on hybridization expansion of continuous-time quantum Monte-Carlo (CTQMC) solver for an extended two-band Hubbard model (2BHM), we investigate the conditions underlying the emergence of such a metal. Specifically, we tie strange metallicity to an orbital-selective Mottness in 2BHM or momentum-selective Mott phase (OSMP) in 2D Hubbard models inspired b…
Inspired by the Nagaoka ferromagnetism, we propose an itinerant model to study the transition between the Mott singlet state and a ferromagnetic state by emulating a doping process in finite lattices. In the Nagaoka ferromagnetism, the total spin of the system takes the maximum value when an electron is removed from the half-filled system. To incorporate a procedure of the electron removal, our model contains extra sites as a reservoir of electrons, and the chemical potential of the reservoir controls the distribution of electrons. As a function of the chemical potential, the system exhibits g…
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 multi-band systems local spin dynamics rather than spec…
The physics of quantum many-body systems have been studied using bulk correlated materials, and recently, moiré superlattices formed by atomic bilayers have appeared as a novel platform in which the carrier concentration and the band structures are highly tunable. In this brief review, we introduce an intermediate platform between those systems, namely, a band-filling- and bandwidth-tunable electric double-layer transistor based on a real organic Mott insulator $κ$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl. In the proximity of the bandwidth-control Mott transition at half filling, both electron and ho…
The anisotropic two-orbital Hubbard model is investigated at low temperatures using high-precision quantum Monte Carlo (QMC) simulations within dynamical mean-field theory (DMFT). We demonstrate that two distinct orbital-selective Mott transitions (OSMTs) occur for a bandwidth ratio of 2 even without spin-flip contributions to the Hund exchange, and we quantify numerical errors in earlier QMC data which had obscured the second transition. The limit of small inter-orbital coupling is introduced via a new generalized Hamiltonian and studied using QMC and Potthoff's self-energy functional method,…
We investigate the evolution of the Mott insulators in the triangular lattice Hubbard Model, as a function of hole doping $δ$ in both the strong and intermediate coupling limits. Using the advanced density matrix renormalization group (DMRG) method, at light hole doping $δ\lesssim 10\%$, we find a significant difference between strong and intermediate couplings. Notably, at intermediate coupling an unusual metallic state emerges, with short ranged spin correlations but long ranged spin-chirality order. Moreover, no clear Fermi surface or wave-vector is observed, this chiral metal also exhibits…
We present the influence of spin correlation on the metal-insulator transitions (MIT) in two-orbital Hubbard models by the Kotliar-Ruckenstein slave-boson approach. In the asymmetric half-filling situation, the two orbits simultaneously transit from conducting to insulating states with the increase of Coulomb correlation, accompanied by a paramagnetic (PM)-antiferromagnetic (AFM) transition. The orbital selective Mott transition found in the PM condition is completely suppressed over a wide correlation range, though it may exist in the systems away from half-filling. In the insulating state, t…
We investigated the infrared optical spectra of an organic dimer Mott insulator $κ$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl, which was irradiated with X-rays. We observed that the irradiation caused a large spectral weight transfer from the mid-infrared region, where interband transitions in the dimer and Mott-Hubbard bands take place, to a Drude part in a low-energy region; this caused the Mott gap to collapse. The increase of the Drude part indicates a carrier doping into the Mott insulator due to irradiation defects. The strong redistribution of the spectral weight demonstrates that the organic M…
Quasi-particle spectra of the layer perovskite Sr$_2$RuO$_4$ are calculated within Dynamical Mean Field Theory for increasing values of the on-site Coulomb energy $U$. At small $U$ the planar geometry splits the $t_{2g}$ bands near $E_F$ into a wide, two-dimensional $d_{xy}$ band and two narrow, nearly one-dimensional $d_{xz,yz}$ bands. At larger $U$, however, the spectral distribution of these states exhibit similar correlation features, suggesting a common metal-insulator transition for all $t_{2g}$ bands at the same critical $U$.
In strongly correlated electron systems, the emergence of states in the Mott gap in the single-particle spectrum following the doping of the Mott insulator is a remarkable feature that cannot be explained in a conventional rigid-band picture. Here, based on an analysis of the quantum numbers and the overlaps of relevant states, as well as through a demonstration using the ladder and bilayer t-J models, it is shown that in a continuous Mott transition due to hole doping, the magnetically excited states of the Mott insulator generally emerge in the electron-addition spectrum with the dispersion …
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 0.2. In particular, the deviation from Fermi-liquid behav…
Tailoring transport properties of strongly correlated electron systems in a controlled fashion counts among the dreams of materials scientists. In copper oxides, varying the carrier concentration is a tool to obtain high-temperature superconducting phases. In manganites, doping results in exotic physics such as insulator-metal transitions (IMT), colossal magnetoresistance (CMR), orbital- or charge-ordered (CO) or charge-disproportionate (CD) states. In most oxides, antiferromagnetic order and charge-disproportionation are asssociated with insulating behavior. Here we report the realization of …
