The interaction-driven Mott transition in the half-filled Hubbard model is a first-order phase transition that terminates at a critical point $(T_\mathrm{c},U_\mathrm{c})$ in the temperature-interaction plane $T-U$. A number of crossovers occur along lines that extend for some range above $(T_\mathrm{c},U_\mathrm{c})$. Asymptotically close to $(T_\mathrm{c},U_\mathrm{c})$, these lines coalesce into the so-called Widom line. The existence of $(T_\mathrm{c},U_\mathrm{c})$ and of the associated crossovers becomes unclear when long-wavelength fluctuations or long-range order occur above $(T_\mathrm{c},U_\mathrm{c})$. We study this problem using continuous-time quantum Monte Carlo methods as impurity solvers for both Dynamical Mean-Field Theory (DMFT) and Cellular Dynamical Mean-Field Theory (CDMFT). We contrast the cases of the square lattice, where antiferromagnetic fluctuations dominate in the vicinity of the Mott transition, and the triangular lattice where they do not. The inflexion points and maxima found near the Widom line for the square lattice can serve as proxy for the triangular lattice case. But the only crossover observable in all cases at sufficiently high temperature is that associated with the opening of the Mott gap. The same physics also controls an analog crossover in the resistivity called the "Quantum Widom line".
The physics of doped Mott insulators remains controversial after decades of active research, hindered by the interplay among possible competing orders and fluctuations. It is thus highly desired to distinguish the intrinsic characters of the Mott-metal crossover from those of other origins. We investigate the evolution of electronic structure and dynamics of the hole-doped J=1/2 Mott insulator Sr2IrO4. The effective hole doping is achieved by replacing Ir with Rh atoms, with the chemical potential immediately jumping to or near the top of the lower Hubbard band. The doped iridates exhibit mult…
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 th…
With optical spectroscopy we provide evidence that the insulator-metal transition in Sr$_2$Ir$_{1-x}$Rh$_{x}$O$_{4}$ occurs close to a crossover from the Mott- to the Slater-type. The Mott-gap at $x = 0$ persists to high temperature and evolves without an anomaly across the Néel temperature, $T_N$. Upon Rh-doping, it collapses rather rapidly and vanishes around $x = 0.055$. Notably, just as the Mott-gap vanishes yet another gap appears that is of the Slater-type and develops right below $T_N$. This Slater-gap is only partial and is accompanied by a reduced scattering rate of the remaining free…
Electric field effect (EFE) controlled magnetoelectric transport in thin films of undoped and La-doped Sr$_{2}$IrO$_{4}$ (SIO) were investigated under the action of ionic liquid gating. Despite large carrier density modulation, the temperature dependent resistance measurements exhibit insulating behavior in chemically and EFE doped samples with the band filling up to 10\%. The ambipolar transport across the Mott gap is demonstrated by EFE tuning of the activation energy. Further, we observe a crossover from a negative magnetoresistance (MR) at high temperatures to positive MR at low temperatur…
We study the Mott transition in a frustrated Hubbard model with next-nearest neighbor hopping at half-filling. The interplay between interaction, dimensionality and geometric frustration closes the one-dimensional Mott gap and gives rise to a metallic phase with Fermi surface pockets. We argue that they emerge as a consequence of remnant one-dimensional Umklapp scattering at the momenta with vanishing interchain hopping matrix elements. In this pseudogap phase, enhanced d-wave pairing correlations are driven by antiferromagnetic fluctuations. Within the adopted cluster dynamical mean-field the…
We use a novel Monte Carlo method to study the Mott transition in an anisotropic triangular lattice. The real space approach, retaining extended spatial correlations, allows an accurate treatment of non trivial magnetic fluctuations in this frustrated structure. Choosing the degree of anisotropy to mimic the situation in the quasi-two dimensional organics, $κ-$(BEDT-TTF)$_2$Cu[N(CN)$_2$]-X, we detect a wide pseudogap phase, with anomalous spectral and transport properties, between the `ungapped' metal and the `hard gap' Mott insulator. The magnetic fluctuations also lead to pronounced momentum…
We consider the dimer Hubbard model within Dynamical Mean Field Theory to study the interplay and competition between Mott and Peierls physics. We describe the various metal-insulator transition lines of the phase diagram and the break down of the different solutions that occur along them. We focus on the specific issue of the debated Mott-Peierls insulator crossover and describe the systematic evolution of the electronic structure across the phase diagram. We found that at low intra-dimer hopping the emerging local magnetic moments can unbind above a characteristic singlet temperature $T^*$. …
A new concept is proposed for the paramagnetic metal insulator transition in the layer perovskite Ca_{2-x}Sr_xRuO_4. Whereas the pure Sr compound is metallic up to very large Coulomb energies due to strong orbital fluctuations, structural changes induced by doping with Ca give rise to a interorbital charge transfer which makes the material extremely sensitive to local correlations. Using dynamical mean field theory based on finite temperature multi-band exact diagonalization it is shown that the combination of crystal field splitting and onsite Coulomb interactions leads to complete filling of…
Using non-perturbative theoretical method, we address the problem of strong correlations in twisted bilayer-layer graphene at the magic angle. We concentrate on the solution without symmetry breaking, where conventional Mott insulating state is expected for all integer fillings. At Coulomb repulsion corresponding to dielectric constant $\varepsilon\approx 5$ and several integer fillings we find a Mott-semiconducting state, which simultaneously hosts the Mott state, and inside the Mott gap, a second much smaller semiconduting gap. The presence of these Mott-ingap states, which are located at th…
A possibility of a metal-insulator transition in molecular conductors has been studied for systems composed of donor molecules and fully ionized anions with an incommensurate ratio close to 2:1 based on a one-dimensional extended Hubbard model, where the donor carriers are slightly deviated from quarter filling and under an incommensurate periodic potential from the anions. By use of the renormalization group method, interplay between commensurability energy on the donor lattice and that from the anion potential has been studied and it has been found that an "incommensurate Mott insulator" can…
We study various Mott insulating phases of interacting spin-3/2 fermionic ultracold atoms in two-dimensional square optical lattices at half filling. Using a generalized one-band Hubbard model with hidden SO(5) symmetry, we identify two distinct symmetry breaking phases: the degenerate antiferromagnetic spin-dipole/spin-octupole ordering and spin-quadrupole ordering, depending on the sign of the spin-dependent interaction. These two competing orders exhibit very different symmetry properties, low energy excitations and topological characterizations. Near the SU(4) symmetric point, a quantum cr…
Metal-insulator transitions are studied within a three-component Falicov-Kimball model which mimics a mixture of one-component and two-component fermionic particles with local repulsive interactions in optical lattices. Within the model the two-component fermionic particles are able to hop in the lattice, while the one-component fermionic particles are localized. The model is studied by using the dynamical mean-field theory with exact diagonalization. Its homogeneous solutions establish Mott transitions for both commensurate and incommensurate fillings between one third and two thirds. At comm…
The interplay between quarter-filled and half-filled umklapp scattering has been examined by applying the renormalization group method to a one-dimensional quarter-filled electron system with dimerization, on-site (U) and nearest-neighbor (V) repulsive interactions. The phase diagram on the U-V plane is obtained at absolute zero temperature where the Mott insulator (the charge ordered insulator) is found for smaller (larger) V. By choosing the moderate parameter in the region of Mott insulator, it is shown that the resistivity exhibits a crossover from behavior of quarter-filling to that of ha…
We report on the epitaxial strain-driven electronic and antiferromagnetic modulations of a pseudospin-half square lattice realized in superlattices of (SrIrO3)1/(SrTiO3)1. With increasing compressive strain, we find the low-temperature insulating behavior to be strongly suppressed with a corresponding systematic reduction of both the Neel temperature and the staggered moment. However, despite such a suppression, the system remains weakly insulating above the Neel transition. The emergence of metallicity is observed under large compressive strain but only at temperatures far above the Néel tran…
Photoemission spectra of the paramagnetic insulating (PI) phase of (V_0.972Cr_0.028)_2O_3, taken in ultra high vacuum up to the unusually high temperature (T) of 800 K, reveal a property unique to the Mott-Hubbard (MH) insulator and not observed previously. With increasing T the MH gap is filled by spectral weight transfer, in qualitative agreement with high-T theoretical calculations combining dynamical mean field theory and band theory in the local density approximation.
We study the asymmetric Hubbard model at half-filling as a generic model to describe the physics of two species of repulsively interacting fermionic cold atoms in optical lattices. We use Dynamical Mean Field Theory to obtain the paramagnetic phase diagram of the model as function of temperature, interaction strength and hopping asymmetry. A Mott transition with a region of two coexistent solutions is found for all nonzero values of the hopping asymmetry. At low temperatures the metallic phase is a heavy Fermi-liquid, qualitatively analogous to the Fermi liquid state of the symmetric Hubbard m…
Based on the Phase Hamiltonian, two types of solitons are found to exist in the crossover region between band insulator and Mott insulator in one-dimension. Both of these solitons have fractional charges but with different spins, zero and 1/2, respectively. The results are in accord with the experimental results by Kanoda et al. for TTF-Chloranil under pressure.
The possibility of the strong electron-electron interaction driven insulating phase from the metallic phase in two-dimensions has been suggested for clean systems without intentional disorder, but its rigorous demonstration is still lacking. Here, we examine the finite-temperature transport behavior of a few layered-MoS$_2$ material in the vicinity of the density-driven metal-insulator transition (MIT), revealing previously overlooked universal features characteristic of strongly correlated electron systems. Our scaling analysis, based on the Wigner-Mott theoretical viewpoint, conclusively dem…
Nonequilibrium states induced by an applied bias voltage (V) and the corresponding current-voltage characteristics of one-dimensional models describing band and Mott insulators are investigated theoretically by using nonequilibrium Green's functions. We attach the models to metallic electrodes whose effects are incorporated into the self-energy. Modulation of the electron density and the scalar potential coming from the additional long-range interaction are calculated self-consistently within the Hartree approximation. For both models of band and Mott insulators with length L_C, the bias volta…
The one-dimensional extended Peierls-Hubbard model is studied at several band fillings using the density matrix renormalization group method. Results show that the ground state evolves from a Mott-Peierls insulator with a correlation gap at half-filling to a soliton lattice with a small band gap away from half-filling. It is also confirmed that the ground state of the Peierls-Hubbard model undergoes a transition to a metallic state at finite doping. These results show that electronic correlations effects should be taken into account in theoretical studies of doped polyacetylene. They also show…
The metal-insulator transition in one dimensional fermionic systems with long-range interaction is investigated. We have focused on an excitation spectrum by the exact diagonalization technique in sectors with different momentum quantum numbers. At rational fillings, we have demonstrated gap opening transitions from the Tomonaga-Luttinger liquid to the Mott insulator associated with a discrete symmetry breaking by changing the interaction strength. Finite interaction range is crucial to have the Mott transition at a rational filling away from the half filling. It is consistent with the strong …
We present a spectroscopic study that reveals that the metal-insulator transition of strained VO$_2$ thin films may be driven towards a purely electronic transition, which does not rely on the Peierls dimerization, by the application of mechanical strain. Comparison with a moderately strained system, which does involve the lattice, demonstrates the crossover from Peierls- to Mott-like transitions.
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…
Describing the doped Fullerenes using a generalized Hubbard model, we study the Mott transition for different integer fillings of the t_1u band. We use the opening of the energy-gap E_g as a criterion for the transition. E_g is calculated as a function of the on-site Coulomb interaction U using fixed-node diffusion Monte Carlo. We find that for systems with doping away from half-filling the Mott transitions occurs at smaller U than for the half-filled system. We give a simple model for the doping dependence of the Mott transition.
Transport and magnetic properties have been systematically investigated for SmMnAsO_{1-x} with controlled electron-doping. As the electron band-filling is increased with the increase of oxygen deficiency (x), the resistivity monotonically decreases and the transition from Mott-insulator to metal occurs between x=0.17 and 0.2. Seebeck coefficient at room temperature abruptly changes around the critical doping level from a large value (\sim -300 μV/K) to a small one (\sim -50 μV/K) both with negative sign. In the metallic compounds with x=0.2 and x=0.3, Mn spins order antiferromagnetically aroun…
We have performed in-plane transport measurements on the two-dimensional organic salt $κ$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl. A variable (gas) pressure technique allows for a detailed study of the changes in conductivity through the insulator-to-metal transition. We identify four different transport regimes as a function of pressure and temperature (corresponding to insulating, semi-conducting, ''bad metal'', and strongly correlated Fermi liquid behaviours). Marked hysteresis is found in the transition region, which displays complex physics that we attribute to strong spatial inhomogeneities. A…
Thermal Signatures of the Slater-Mott Crossover in the Hubbard Model: From Double Occupancy to Antiferromagnetic Correlation Length
University of Science and Technology of China（中国科学技术大学）；Institute of Modern Physics, Northwest University（西北大学现代物理研究所）；Hefei National Laboratory for Physical Sciences at Microscale（合肥微尺度物质科学国家研究中心）；Hefei National Laboratory（合肥国家实验室）；Shaanxi Key Laboratory for Theoretical Physics Frontiers（陕西省理论物理前沿重点实验室）；Fundamental Discipline Research Center for Quantum Science and Technology of Shaanxi Province（陕西省量子科学与技术基础学科研究中心）
We study theoretically the zero temperature phase transition in two dimensions from a Fermi liquid to a paramagnetic Mott insulator with a spinon Fermi surface. We show that the approach to the bandwidth controlled Mott transition from the metallic side is accompanied by a vanishing quasiparticle residue and a diverging effective mass. The Landau parameters $F^0_s, F^0_a$ also diverge. Right at the quantum critical point there is a sharply defined `critical Fermi surface' but no Landau quasiparticle. The critical point has a $Tln\frac{1}{T}$ specific heat and a non-zero $T = 0$ resistivity. We…
We investigate the infinite-dimensional two-orbital Hubbard model at arbitrary band fillings. By means of the self-energy functional approach, we discuss the stability of the metallic state in the systems with same and different bandwidths. It is found that the Mott insulating phases are realized at commensurate band fillings. Furthermore, it is clarified that the orbital selective Mott phase with one orbital localized and the other itinerant is stabilized even at fractional band fillings in the system with different bandwidths.
The lattice response of a prototype Mott insulator, SmTiO3, to hole doping is investigated with atomic-scale spatial resolution. SmTiO3 films are doped with Sr on the Sm site with concentrations that span the insulating and metallic sides of the filling-controlled Mott metal-insulator transition (MIT). The GdFeO3-type distortions are investigated using an atomic resolution scanning transmission electron microscopy technique that can resolve small lattice distortions with picometer precision. We show that these distortions are gradually and uniformly reduced as the Sr concentration is increased…
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 …
Recent studies demonstrated that there may appear different novel states in correlated systems close to localized-itinerant crossover. Especially favourable conditions for that are met in low-dimensional and in frustrated systems. In this paper I discuss on concrete examples some of such novel states. In particular, for some spinels and triangular systems there appears a "partial Mott transition", in which first some finite clusters (dimers, trimes, tetramers, heptamers) go over to the itinerant regime, and the real bulk Mott transition occurs only later. Also some other specific possibilities…
We study the filling-driven Mott transition involving the metallic and paramagnetic insulating phases in SU(N) Fermi-Hubbard models, using dynamical mean-field theory (DMFT) and the numerical renormalization group (NRG) as impurity solver. The compressibility shows a striking temperature dependence: near the critical temperature, it is strongly enhanced in the metallic phase close to the insulating phase. We demonstrate that this compressibility enhancement is associated with the thermal suppression of the quasiparticle peak in the local spectral functions. We also explain that the asymmetric …
We report high resolution neutron scattering measurements on the triangular lattice Mott insulator Na$_x$CrO$_2$ ($x$=1) which has recently been shown to exhibit an unusually broad fluctuating crossover regime extending far below the onset of spin freezing ($T_c\sim$41K). Our results show that below some crossover temperature ($T\sim0.75T_c$) a small incommensuration develops which helps resolve the spin frustration and drives three-dimensional magnetic order supporting coherent spin wave modes. This incommensuration assisted dimensional crossover suggests that inter-layer frustration is respo…
Mott metal-insulator transitions in an M-fold orbitally degenerate Hubbard model are studied by means of a generalization of the linearized dynamical mean-field theory. The method allows for an efficient and reliable determination of the critical interaction U_c for any integer filling n and different M at zero temperature. For half-filling a linear dependence of U_c on M is found. Inclusion of the (full) Hund's rule exchange J results in a strong reduction of U_c. The transition turns out to change qualitatively from continuous for J=0 to discontinuous for any finite J.
We apply the approximate analytic methods to the investigation of the band structure of the asymmetric Hubbard model where the chemical potentials and electron transfer parameters depend on the electron spin (type of quasiparticles). The Hubbard-I and alloy-analogy approximations are the simplest approximations which are used. Within the alloy-analogy approximation, the energy band of particles does not depend on the transfer parameter of particles of another sort. It means that the gap in the spectrum opens at the critical value $U_{c}$ that is the same in two different limiting cases: the Fa…
The nature of the correlated phases found in some graphene heterostructures is under debate. We use dynamical mean-field theory (DMFT) to analyze the effect of local correlations close to half-filling on one of such systems, the ABC trilayer graphene aligned with hexagonal boron nitride (ABC/hBN), which presents a moiré superlattice. This system has shown insulating phases at integer fillings of the moiré lattice, precisely the fillings at which a sufficiently strong Coulomb interaction (U$_{\rm Mott}$) may produce a metal-insulator Mott transition. Our calculations show that the electronic st…
The ground-state phase diagram of the half-filled two-leg Hubbard ladder with inter-site Coulomb repulsions and exchange coupling is studied by using the strong-coupling perturbation theory and the weak-coupling bosonization method. Considered here as possible ground states of the ladder model are four types of density-wave states with different angular momentum (s-density-wave state, p-density-wave state, d-density-wave state, and f-density-wave state) and four types of quantum disordered states, i.e., Mott insulating states (S-Mott, D-Mott, S'-Mott, and D'-Mott states, where S and D stand fo…
Realization of a Wigner-Mott insulator in 6R-TaS$_2$ superconductor
Beijing National Center for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所（北京凝聚态物理国家研究中心））；School of Physical Sciences, University of Chinese Academy of Sciences（中国科学院大学物理科学学院）；Hefei National Laboratory（合肥国家实验室）；Department of Physics, Boston College（波士顿学院物理系）
We propose a cold-atom setup which allows for a dimensional crossover from a two-dimensional quantum spin Hall insulating phase to a three-dimensional strong topological insulator by tuning the hopping between the layers. We further show that additional Hubbard onsite interactions can give rise to spin liquid-like phases: weak and strong topological Mott insulators. They represent the celebrated paradigm of a quantum state of matter which merely exists because of the interplay of the non-trivial topology of the band structure and strong interactions. While the theoretical understanding of this…
We investigate the metal-insulator Mott transition in a generalized version of the periodic Anderson model, in which a band of itinerant electrons is hybridrized with a narrow and strongly correlated band. Using dynamical mean-field theory, we show that the precondition for a Mott transition is an integer total filling of the two bands, while for an integer constant occupation of the correlated band the system remains a correlated metal at arbitrary large interaction strength. We picture the transition at a non-integer filling of the correlated orbital as the Mott localization of the singlet s…
We study the interplay of crystal field splitting and Hund coupling in a two-orbital model which captures the essential physics of systems with two electrons or holes in the e_g shell. We use single site dynamical mean field theory with a recently developed impurity solver which is able to access strong couplings and low temperatures. The fillings of the orbitals and the location of phase boundaries are computed as a function of Coulomb repulsion, exchange coupling and crystal field splitting. We find that the Hund coupling can drive the system into a novel Mott insulating phase with vanishing…
We develop an exact generalized Bogoliubov transformation for the spin 3/2 Hubbard model with large anti-Hunds rule coupling near half filling. Since our transformation is unitary, we can thereafter employ standard approximate mean field theory methods in the full Hilbert space to analyze the doped Mott insulator, in contrast to a conventional approach based on truncated Hilbert spaces complemented with hard core constraints. The ground state at exactly half filling is an insulating (Mott) singlet, and according to our analysis a non-Fermi liquid order parameter $ Δ$ usually associated with ex…
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $ε_{i}$ have a bimodal probability distribution and an energy separation $Δ$. We solve the DMFT equations by the numerical renormalization group method at zero temperature, and calculate the spectral density as a function of disorder strength $Δ$ and interaction $U$ at different fillings. For filling factors $ν=x$ or $1+x$ the lower or upper alloy subband is half filled and the system becomes a Mott insulator at strong interactions, with a…
Within the framework of a realistic multi-band p-d-model, we derived an effective Hamiltonian to describe the exchange interaction effects near the spin crossover in magnetic Mott-Hubbard insulators under pressure. It is shown that single-ion mechanism of spin crossover under change of the crystal field does not lead to a thermodynamic phase transition, however, at T = 0 a quantum phase transition appears. It has been found that the cooperativity leads to a modification of the quantum phase transition to a first-order phase transition and the appearance of metastable states of the system. The …
We study theoretically the quantum phase transition from a metal to a Wigner-Mott insulator at fractional commensurate filling on a two-leg ladder. We show that a continuous transition out of a symmetry-preserving Luttinger liquid metal is possible where the onset of insulating behavior is accompanied by the breaking of the lattice translation symmetry. At fillings $ν= 1/m$ per spin per unit cell, we find that the spin degrees of freedom also acquire a gap at the Wigner-Mott transition for odd integer $m$. In contrast for even integer $m$, the spin sector remains gapless and the resulting insu…
High-quality epitaxial SrVO3 (SVO) thin films of various thicknesses were grown on (001)-oriented LSAT substrates by pulsed electron-beam deposition technique. Thick SVO films (~25 nm) exhibited metallic behavior with the electrical resistivity following the T2 law corresponding to a Fermi liquid system. We observed a temperature driven metal-insulator transition (MIT) in SVO ultrathin films with thicknesses below 6.5 nm, the transition temperature TMIT was found to be at 50 K for the 6.5 nm film, 120 K for the 5.7 nm film and 205 K for the 3 nm film. The emergence of the observed MIT can be a…
In an attempt to clarify the nature of the crossover from a Peierls band insulator to a Mott Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein Hubbard model using exact diagonalization techniques.
We study the phase diagram of two weakly coupled one-dimensional dipolar boson chains at half-odd-integer fillings. We find that the system contains a rich phase diagram. Four different phases are found. They are the Mott insulators, the single-particle resonant superfluid, the paired superfluid, and the bond- or inter-chain density waves. Moreover, the Mott insulating phase can be further classified according to a hidden string order parameter, which is analogous to the one investigated recently in the one-dimensional boson Mott insulator at integer fillings.
Spin-orbit-coupled Mott iridates show great similarity with parent compounds of superconducting cuprates, attracting extensive research interests especially for their electron-doped states. However, previous experiments are largely limited within a small doping range due to the absence of effective dopants, and therefore the electron-doped phase diagram remains elusive. Here we utilize an ionic-liquid-gating induced protonation method to achieve electron-doping into a 5d Mott-insulator built with SrIrO3/SrTiO3 superlattice, and achieve a systematic mapping of its electron-doped phase diagram w…
We study the ground state properties of spin-1 bosons in a two-dimensional optical lattice, by applying a variational Monte Carlo method to the S=1 Bose-Hubbard model on a square lattice at unit filling. A doublon-holon binding factor introduced in the trial state provides a noticeable improvement in the variational energy over the conventional Gutzwiller wave function and allows us to deal effectively with the inter-site correlations of particle densities and spins. We systematically show how spin-dependent interactions modify the superfluid-Mott insulator transitions in the S=1 Bose-Hubbard …
The infrared response of the organic conductor (TMTSF)$_2$PF$_6$ and the Mott insulator (TMTTF)$_2$PF$_6$ are investigated as a function of temperature and pressure and for the polarization parallel and perpendicular to the molecular stacks. By applying external pressure on (TMTTF)$_2$PF$_6$, the Mott gap rapidly diminishes until the deconfinement transition occurs when the gap energy is approximately twice the interchain transfer integral. In its deconfined state (TMTTF)$_2$PF$_6$ exhibits a crossover from a quasi-one-dimensional to a higher-dimensional metal upon reducing the temperature. Fo…
We have grown single crystals of electron doping system Ca2-xLaxRuO4 (0.00 <= x <= 0.20) by a floating zone method. The first order metal/non-metal transition and canted antiferromagnetic ordering occur for 0.00 < x < 0.15, similar to those in the bandwidth controlled system Ca2-xSrxRuO4 (CSRO). However, comparing with CSRO, we found a rather different metallic ground state adjacent to the non-metallic ground state with canted antiferromagnetic order. Instead of short-range antiferromagnetic correlation found in CSRO (0.20 <= x < 0.50), the metallic ground state of the present system is charac…
Many metals display resistivity saturation - a substantial decrease in the slope of the resistivity as a function of temperature, that occurs when the electron scattering rate $τ^{-1}$ becomes comparable to the Fermi energy $E_F/\hbar$ (the Mott-Ioffe-Regel limit). At such temperatures, the usual description of a metal in terms of ballistically propagating quasiparticles is no longer valid. We present a tractable model of a large $N$ number of electronic bands coupled to $N^2$ optical phonon modes, which displays a crossover behavior in the resistivity at temperatures where $τ^{-1}\sim E_F/\hb…
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.
