Motivated by the recently observed insulating states in twisted bilayer graphene, we study the nature of the correlated insulating phases of the twisted bilayer graphene at commensurate filling fractions. We use the continuum model and project the Coulomb interaction onto the flat bands to study the ground states by using a Hartree-Fock approximation. In the absence of the hexagonal boron nitride substrate, the ground states are the intervalley coherence states at charge neutrality (filling $ν$ = 0, or four electrons per moiré cell) and at $ν$ = -1/4 and -1/2 (three and two electrons per cell, respectively) and the $C_2\mathcal{T}$ symmetry-broken state at $ν$= -3/4 (one electron per cell). The hexagonal boron nitride substrate drives the ground states at all $ν$ into $C_2\mathcal{T}$ symmetry broken-states. Our results provide good reference points for further study of the rich correlated physics in the twisted bilayer graphene.
In this work, we determine states of electronic order of small-angle twisted bilayer graphene. Ground states are determined for weak and strong couplings which are representatives for varying distances of the twist-angle from its magic value. In the weak-coupling regime, charge density waves emerge which break translational and $C_{3}$-rotational symmetry. In the strong coupling-regime, we find rotational and translational symmetry breaking Mott insulating states for all commensurate moiré band fillings. Depending on the local occupation of superlattice sites hosting up to four electrons, glob…
Coulomb repulsion between electrons moving on a frustrated lattice can give rise, at simple commensurate electronic densities, to exotic insulating phases of matter. Such a phenomenon is illustrated using an extended t--J model on a planar pyrochlore lattice for which the work on the quarter-filled case [cond-mat/0702367] is complemented and extended to 1/8- and 3/8-fillings. The location of the metal-insulator transition as a function of the Coulomb repulsion is shown to depend strongly on the sign of the hopping. Quite generally, the metal-insulator transition is characterized by lattice sym…
We present a simple model that we believe captures the key aspects of the competition between superconducting and insulating states in twisted bilayer graphene. Within this model, the superconducting phase is primary, and arises at generic fillings, but is interrupted by the insulator at commensurate fillings. Importantly, the insulator forms because of electron-electron interactions, but the model is agnostic as to the superconducting pairing mechanism, which need not originate with electron-electron interactions. The model is composed of a collection of crossed one-dimensional quantum wires …
We calculate the ground state phase diagram of the homogeneous electron gas in two dimensions within the Hartree-Fock approximation. At high density, we find stable solutions, where the electronic charge and spin density form an incommensurate crystal having more crystal sites than electrons, whereas the commensurate Wigner crystal is favored at lower densities, rs> 1.22. Our explicit calculations demonstrate that the homogeneous Fermi liquid state -- though being an exact stationary solution of the Hartree-Fock equations -- is never the Hartree-Fock ground state of the electron gas.
Bosonic and fermionic Hubbard models on the checkerboard lattice are studied numerically for infinite on-site repulsion. At particle density n=1/4 and strong nearest-neighbor repulsion, insulating Valence Bond Crystals (VBC) of resonating particle pairs are stabilized. Their melting into superfluid/metallic phases under increasing hopping is investigated at T=0K. More specifically, we identify a novel and unconventional commensurate VBC supersolid region, precursor to the melting of the bosonic crystal. Hardcore bosons (spins) are compared to fermions (electrons), as well as positive to negati…
We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous Fermi gas state with isotropic Fermi surface. At high density, we find metallic spin-unpolarized solutions where electronic charge and spin density form an incommensurate crystal having more crystal sites than electrons. For $r_s \to 0$, our solutions approach pure spin-density waves, whereas the commensurate Wigner crystal is favored at lower densities, $r_s > …
We study the magnetic orbital effect of a doped two-leg ladder in the presence of a magnetic field component perpendicular to the ladder plane. Combining both low-energy approach (bosonization) and numerical simulations (density-matrix renormalization group) on the strong coupling limit (t-J model), a rich phase diagram is established as a function of hole doping and magnetic flux. Above a critical flux, the spin gap is destroyed and a Luttinger liquid phase is stabilized. Above a second critical flux, a reentrance of the spin gap at high magnetic flux is found. Interestingly, the phase transi…
Motivated by the recent discovery of Fe-based superconductors close to an antiferromagnetic insulator in the experimental phase diagram, here the five-orbital Hubbard model (without lattice distortions) is studied using the real-space Hartree-Fock approximation, employing a 10x10 Fe cluster with Fe vacancies in a $\sqrt{5}x\sqrt{5}$ pattern. Varying the Hubbard and Hund couplings, and at electronic density $n$=6.0, the phase diagram contains an insulating state with the same spin pattern as observed experimentally, involving 2x2 ferromagnetic plaquettes coupled with one another antiferromagnet…
We study the Kondo Lattice Model (KLM) on a square lattice through a Hartree-Fock approximation in which the local spins are treated semi-classically, in the sense that their average values are modulated by a magnetic wavevector $\mathbf{Q}$ while they couple with the conduction electrons through fermion operators. In this way, we obtain a ground state phase diagram in which spiral magnetic phases (in which the wavevector depends on the coupling constants and on the density) interpolate between the low-density ferromagnetic phase and the antiferromagnetic phase at half filling; within small re…
The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spi…
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…
Recent experiments [arXiv: 1808.07865] on twisted bilayer graphene (TBLG) show that under hydrostatic pressure, an insulating state at quarter-filling of the moiré superlattice (i.e., one charge per supercell) emerges, in sharp contrast with the previous ambient pressure measurements of Cao et al. where the quarter--filling state (QFS) is a metal [Nature 556, 43 & 80 (2018)]. In fact, the insulating state at the other commensurate fillings of two and three charges per supercell is also enhanced under applied pressure. Based on realistic computations of the band structure for TBLG which show th…
We investigate the behavior of disordered interacting electrons in the insulating regime. Our study is based on the quantum Coulomb glass model which is obtained from the classical Coulomb glass by adding hopping matrix elements between neighboring sites. We use two different numerical methods, viz. a Hartree-Fock approximation and an exact diagonalization and compare the results for the tunneling density of states and the localization properties in order to determine the range of validity of the Hartree-Fock method. We find that the Hartree-Fock method gives a good approximation for the densi…
We analyze the phase diagram of twisted graphene bilayers near a magic angle. We consider the effect of the long range Coulomb interaction, treated within the self consistent Hartree-Fock approximation, and we study arbitrary band fillings. We find a rich phase diagram, with different broken symmetry phases, although tehy do not show necessarily a gap at the Fermi energy. There are non trivial effects of the electrostatic potential on the shape and the gaps of the bands in the broken symmetry phases. The results suggest that the non superconducting broken symmetry phases observed experimentall…
High-Tc superconductivity in cuprates is generally believed to arise from carrier doping an antiferromagnetic Mott (AFM) insulator. Theoretical proposals and emerging experimental evidence suggest that this process leads to the formation of intriguing electronic liquid crystal phases. These phases are characterized by ordered charge and/or spin density modulations, and thought to be intimately tied to the subsequent emergence of superconductivity. The most elusive, insulating charge-stripe crystal phase is predicted to occur when a small density of holes is doped into the charge-transfer insul…
We consider magic-angle twisted bilayer graphene (TBG) at filling $ν=+3$, where experiments have observed a robust quantized anomalous Hall effect. This has been attributed to the formation of a valley- and spin-polarized Chern insulating ground state that spontaneously breaks time-reversal symmetry, and is stabilized by a hexagonal boron nitride (hBN) substrate. We identify three different types of domain wall, and study their properties and energetic selection mechanisms via theoretical arguments and Hartree-Fock calculations adapted to deal with inhomogeneous moiré systems. We comment on th…
Strongly Enhanced Charge-Density Waves and Correlated Insulating State in Atomically Thin 1$T$-TaS$_2$
Nanjing University（南京大学）；Institute of High Energy Physics, Chinese Academy of Sciences（中国科学院高能物理研究所）；Spallation Neutron Source Science Center（散裂中子源科学中心）；National Institute for Materials Science（国立材料研究所）；Center for Shared Scientific Research Facilities, Nanjing University（南京大学共享科研设施中心）
To describe the metal insulator transition in the new oxide TlSr2CoO5 we investigate its electronic structure by LDA and model Hartree-Fock calculations. Within LDA we find a homogeneous metallic and ferromagnetic ground state, but when including the Coulomb interaction more explicitly within the Hartree-Fock approximation, we find an insulating state of lower energy with both spin and orbital order. We also interpret our results in terms of a simple model.
We study the influence of electron-electron interactions on the electronic properties of disordered materials. In particular, we consider the insulating side of a metal-insulator transition where screening breaks down and the electron-electron interaction remains long-ranged. The investigations are based on the quantum Coulomb glass, a generalization of the classical Coulomb glass model of disordered insulators. The quantum Coulomb glass is studied by decoupling the Coulomb interaction by means of a Hartree-Fock approximation and exactly diagonalizing the remaining localization problem. We inv…
We investigate the momentum distribution function near the Mott-Hubbard transition in the one-dimensional t1-t2 Hubbard model (the zig-zag Hubbard chain), with the density-matrix renormalization-group technique. We show that for strong interactions the Mott-Hubbard transition occurs between the metallic-phase and an insulating dimerized phase with incommensurate spin excitations, suggesting a decoupling of magnetic and charge excitations not present in weak coupling. We illustrate the signatures for the Mott-Hubbard transition and the commensurate-incommensurate transition in the insulating sp…
The commensurate $p/q$-filled $n$-component Hubbard chain was investigated by bosonization and high-precision density-matrix renormalization-group analysis. It was found that depending on the relation between the number of components $n$, and the filling parameter $q$, the system shows metallic or insulating behavior, and for special fillings bond-ordered (dimerized, trimerized, tetramerized etc.) ground state develops in the insulating phase. A mean-field analysis shows that this bond ordering is a direct consequence of the spin-exchange interaction, which plays a crucial role in the one-para…
Effects of disorder on the two competing phases, i.e., the ferromagnetic metal and the commensurate charge/lattice ordered insulator, are studied by Monte Carlo simulation. The disorder suppresses the charge/lattice ordering more strongly than the ferromagnetic order, driving the commensurate insulator to the ferromagnetic metal near the phase boundary in the pure case. Above the ferromagnetic transition temperature, on the contrary, the disorder makes the system more insulating, which might cause an enhanced colossal magnetoresistance as observed in the half-doped or Cr-substituted manganites…
Hartree-Fock calculations are presented of a theoretical model describing the Sr/CaRuO$_4$ family of compounds. Both commensurate and incommensurate magnetic states are considered, along with orbital ordering and the effect of lattice distortions. For reasonable parameter values, interactions disfavor orbital disproportionation. A coherent description of the observed phase diagram is obtained.
Two monolayers of graphene twisted by a small `magic' angle exhibit nearly flat bands leading to correlated electronic states and superconductivity, whose precise nature including possible broken symmetries, remain under debate. Here we theoretically study a related but different system with reduced symmetry - twisted {\em double} bilayer graphene (TDBLG), consisting of {\em two} Bernal stacked bilayer graphene sheets, twisted with respect to one another. Unlike the monolayer case, we show that isolated flat bands only appear on application of a vertical displacement field $D$. We construct a …
When phonons couple to fermions in 2D semimetals, the interaction may turn the system into an insulator. There are several insulating phases in which the time reversal and the sublattice symmetries are spontaneously broken. Examples are many-body states commensurate to Haldane's staggered flux model or to lattice models with periodically modulated strain. We find that the effective field theories of these phases exhibit characteristic Chern-Simons terms, whose coefficients are related to the topological invariants of the microscopic model. This implies that the corresponding quantized Hall con…
A remarkable feature of the band structure of bilayer graphene at small twist angle is the appearance of isolated bands near neutrality, whose bandwidth can be reduced at certain magic angles (eg. $θ\sim 1.05^\circ$). In this regime, correlated insulating states and superconductivity have been experimentally observed. A microscopic description of these phenomena requires an understanding of universal aspects of the band structure, which we discuss here. First, we point out the importance of emergent symmetries, such as valley conservation, which are excellent symmetries in the limit of small t…
Using a realistic band structure for twisted WSe$_2 $ materials, we develop a theory for the interaction-driven correlated insulators to conducting metals transitions through the tuning of the filling factor around commensurate fractional fillings of the moiré unit cell in the 2D honeycomb lattice, focusing on the dominant half-filled Mott insulating state, which exists for both long- and short-range interactions. We find metallic states slightly away from half-filling, as have recently been observed experimentally. We discuss the stabilities and the magnetic properties of the resulting insula…
1T-tantalum disulphide (1T-TaS2) is a promising material to realize quantum spin liquid state and fractional excitations. Here, we take a closer look on the temperature dependent magnetic susceptibility of 1T-TaS2 at low magnetic fields to understand the formation of local magnetic moment in this system and its response as a function of temperature and field. We found that the susceptibility increases with reduction in the temperature even in the nearly commensurate charge density wave (CDW) phase, which exhibits metallic conductivity and hence is expected to exhibit temperature independent Pa…
We develop a theory of the excitonic phase recently proposed as the zero-field insulating state observed near charge neutrality in monolayer WTe$_2$. Using a Hartree-Fock approximation, we numerically identify two distinct gapped excitonic phases: a spin density wave state for weak non-zero interaction strength and spin spiral order at stronger interactions, separated by a narrow window of non-excitonic quantum spin Hall insulator. We introduce a simplified model capturing key features of the WTe$_2$ band structure, in which these phases appear as distinct valley ferromagnetic orders. We link …
We develop a formalism that allows the study of correlations in space and time in both the superfluid and Mott insulating phases of the Bose-Hubbard Model. Specifically, we obtain a two particle irreducible effective action within the contour-time formalism that allows for both equilibrium and out of equilibrium phenomena. We derive equations of motion for both the superfluid order parameter and two-point correlation functions. To assess the accuracy of this formalism, we study the equilibrium solution of the equations of motion and compare our results to existing strong coupling methods as we…
Quantum particles on a lattice with competing long-range interactions are ubiquitous in physics. Transition metal oxides, layered molecular crystals and trapped ion arrays are a few examples out of many. In the strongly interacting regime, these systems often exhibit a rich variety of quantum many-body ground states that challenge theory. The emergence of transition metal dichalcogenide moiré heterostructures provides a highly controllable platform to study long-range electronic correlations. Here we report an observation of nearly two-dozen correlated insulating states at fractional fillings …
Based on a symmetry argument, we study the ground-state properties of halogen-bridged binuclear metal chain complexes. We systematically derive commensurate density-wave solutions from a relevant two-band Peierls-Hubbard model and numerically draw the the ground-state phase diagram as a function of electron-electron correlations, electron-phonon interactions, and doping concentration within the Hartree-Fock approximation. The competition between two types of charge-density-wave states, which has recently been reported experimentally, is indeed demonstrated.
We report results of NMR experiments on the ruthenium oxide Hg2Ru2O7 with the pyrochlore structure, which exhibits a metal-insulator transition at TMI = 107 K. In the metallic phase above TMI, the nuclear spin-lattice relaxation rate 1/T1 and the Knight shift at the Hg sites follow the Korringa relation, indicating the absence of substantial spatial spin correlation. At low temperatures in the insulating phase, 99,101Ru-NMR signals are observed at zero magnetic field, providing evidence for a commensurate antiferromagnetic order. The estimated ordered moment is about 1 muB per Ru, much smaller…
Coexistence of insulating phases in confined fermionic chains with a Wannier-Stark potential
Centro Atómico Bariloche, Instituto Balseiro（巴里洛切原子中心，巴尔塞罗研究所）；Instituto de Nanociencia y Nanotecnología CNEA-CONICET（CNEA-CONICET纳米科学与技术研究所）；School of Physics and Astronomy, Tel Aviv University（特拉维夫大学物理与天文学学院）
Effects of electron correlations on Anderson insulators have been one of the central themes for recent two decades, suggesting that the Anderson insulating phase turns into a novel insulating state referred to as many body localization (MBL). However, the role of spin degrees of freedom in this dynamical phase transition still remains unclarified as a function of the interaction strength. In this study, we perform real-space spin-resolved Hartree-Fock-Anderson simulations to investigate metal-insulator transitions above a critical disorder strength in three spatial dimensions, where all single…
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 nature of the insulating ground state in quasi-two-dimensional organic conductor lambda-(BETS)_2GaX_zY_{4-z}, where the existence of a spin gap is suggested by susceptibility measurement, has been studied theoretically. Hartree-Fock calculations at absolute zero temperature show that if the on-site Coulomb interaction exceeds some critical value, then antiferromagnetic spin ordering emerges and eventually leads to an insulating state which can be considered as a two-dimensional localized spin system. Based on the quantum Monte Carlo simulations of Katoh and Imada, we will show that this sy…
We investigate the effect of hole and electron doping to half-filling in the periodic Anderson model on a triangular lattice by the Hartree-Fock approximation at zero temperature. At half-filling, the system exhibits a partially disordered insulating state, in which a collinear antiferromagnetic order on an unfrustrated honeycomb subnetwork coexists with nonmagnetic state at the remaining sites. We find that the carrier doping destabilizes the partially disordered state, resulting in a phase separation to a doped metallic state with different magnetic order. The partially disordered state is r…
Small-twist-angle transition metal dichalcogenide (TMD) heterobilayers develop isolated flat moiré bands that are approximately described by triangular lattice generalized Hubbard models [PhysRevLett.121.026402]. In this article we explore the metallic and insulating states that appear under different control conditions at a density of one-electron per moiré period, and the transitions between them. By combining fully self-consistent Hartree-Fock theory calculations with strong-coupling expansions around the atomic limit, we identify four different magnetic states and one nonmagnetic state nea…
We studied the charge-orbital ordering in the superlattice of charge-ordered insulating Pr$_{0.5}$Ca$_{0.5}$MnO$_3$ and ferromagnetic metallic La$_{0.5}$Sr$_{0.5}$MnO$_3$ by resonant soft x-ray diffraction. A temperature-dependent incommensurability is found in the orbital order. In addition, a large hysteresis is observed that is caused by phase competition between insulating charge ordered and metallic ferromagnetic states. No magnetic phase transitions are observed in contrast to bulk, confirming the unique character of the superlattice. The deviation from the commensurate orbital order can…
We present evidence for an exotic gapless insulating phase of hard-core bosons on multi-leg ladders with a density commensurate with the number of legs. In particular, we study in detail a model of bosons moving with direct hopping and frustrating ring exchange on a 3-leg ladder at $ν=1/3$ filling. For sufficiently large ring exchange, the system is insulating along the ladder but has two gapless modes and power law transverse density correlations at incommensurate wave vectors. We propose a determinantal wave function for this phase and find excellent comparison between variational Monte Carl…
Motivated by the recent experimental evidence of commensurate surface charge density waves (CDW) in Pb/Ge(111) and Sn/Ge(111) sqrt{3}-adlayer structures, as well as by the insulating states found on K/Si(111):B and SiC(0001), we have investigated the role of electron-electron interactions, and also of electron-phonon coupling, on the narrow surface state band originating from the outer dangling bond orbitals of the surface. We model the sqrt{3} dangling bond lattice by an extended two-dimensional Hubbard model at half-filling on a triangular lattice. We include an on-site Hubbard repulsion U a…
The occurrence of superconducting and insulating phases is well-established in twisted graphene bilayers, and they have also been reported in other arrangements of graphene layers. We investigate three such arrangements: untwisted AB bilayer graphene on an hBN substrate, two graphene bilayers twisted with respect to each other, and a single ABC stacked graphene trilayer on an hBN substrate. Narrow bands with different topology occur in all cases, producing a high density of states which enhances the role of interactions. We investigate the effect of the long range Coulomb interaction, treated …
Distinguishing and controlling the extent of Mottness is important for materials where the energy scales of the onsite Coulomb repulsion U and the bandwidth W are comparable. Here we report the ultrafast electronic dynamics of 1T-TaS$_2$ by ultrafast time- and angle-resolved photoemission spectroscopy. A comparison of the electron dynamics for the newly-discovered intermediate phase (I-phase) as well as the low-temperature commensurate charge density wave (C-CDW) phase shows distinctive dynamics. While the I-phase is characterized by an instantaneous response and nearly time-resolution-limited…
Motivated by the recent experimental evidence of commensurate surface CDW in Pb/Ge(111) and Sn/Ge(111) $\sqrt{3}$-adlayer structures, as well as by the insulating states found on K/Si(111):B and SiC(0001), we have investigated the role of electron-electron interactions, and also of electron-phonon coupling, on the narrow surface state band originating from the dangling bond orbitals of the adsorbate. We model the problem by an extended two-dimensional Hubbard model at half-filling on a triangular lattice. We include an on-site Hubbard repulsion U and a nearest-neighbor V, plus a long-ranged Co…
We study the softcore extended Bose Hubbard model in a two-dimensional triangular lattice by using the quantum Monte Carlo methods. The ground state phase diagram of the system exhibits a very fruitful structure. Except the Mott insulating state, four kinds of solid states with respect to the commensurate filling factors $ρ=1/3,2/3$ and $ρ=1$ are identified. Two of them (CDW II and CDW III) are newly predicted. In incommensurate fillings, superfluid, spuersolid as well as phase separation states are detected . As in the case for the hardcore bosons, a supersolid phase exists in $1/3<ρ<2/3$ whi…
We study the boundary physics of bulk insulators by considering three coupled Hubbard chains in a linear confining potential. In the Hartree-Fock approximation, the ground state at and slightly off the particle-hole symmetric point remains insulating even at large slopes of the confining potential. By contrast, accounting for quantum fluctuations and correlations through a combination of bosonization and RG methods, we find that there is always a gapless dipole mode, but it does not contribute to a finite compressibility. Moreover, when increasing the slope of the confining potential at half f…
We present a systematic study of the correlation-induced corrections to the electronic band structure of zinc-blende BN. Our investigation employs an ab initio wave-function-based local Hamiltonian formalism which offers a rigorous approach to the calculation of the polarization and local charge redistribution effects around an extra electron or hole placed into the conduction or valence bands of semiconducting and insulating materials. Moreover, electron correlations beyond relaxation and polarization can be readily incorporated. The electron correlation treatment is performed on finite clust…
Thermodynamic properties of the square-lattice Holstein model of the electron-phonon problem with phonon frequencies small compared to the bare Fermi energy are obtained using Monte Carlo methods, a strong-coupling (bipolaronic) expansion, and a weak coupling Migdal-Eliashberg approach. Already at elevated temperatures where the charge-density wave (CDW) and superconducting (SC) correlations are very short-range, a crossover occurs as a function of increasing electron-phonon coupling, $λ_0$, from a normal metallic regime to a pseudogap regime. At sufficiently low $T$, a SC phase is found for s…
Twisted double- and mono-bilayer graphene are graphene-based moiré materials hosting strongly correlated fermions in a gate-tunable conduction band with a topologically non-trivial character. Using unbiased exact diagonalization complemented by unrestricted Hartree-Fock calculations, we find that the strong electron-electron interactions lead to a non-coplanar magnetic state, which has the same symmetries as the tetrahedral antiferromagnet on the triangular lattice and can be thought of as a skyrmion lattice commensurate with the moiré scale, competing with a set of ferromagnetic, topological …
By means of $ab~initio$ computation schemes, we examine the low-energy electronic structure of monolayer TaS$_2$ in its low-temperature commensurate charge-density-wave structure. We estimate and take into account both local and non-local Coulomb correlations within cRPA (constrained random phase approximation) and GW+EDMFT (GW plus extended dynamical mean-field theory) method. Mott nature of its insulating phase is clearly identified. By increasing the level of nonlocal approximation from DMFT ($V=0$) to EDMFT and GW+EDMFT, a systematic change of charge screening effects is clearly observed w…
Various auxiliary-particle approaches to treat electron correlations in many-electron models are analyzed. Applications to copper-oxide layered systems are discussed. The ground-state magnetic phase diagrams are considered within the Hubbard and $s$-$d$ exchange (Kondo) models for square and simple cubic lattices vs. band filling and interaction parameter. A generalized Hartree-Fock approximation is employed to treat commensurate ferro-, antiferromagnetic, and incommensurate (spiral) magnetic phases, and also magnetic phase separation. The correlations are taken into account within the Hubbard…
The experimentally observed correlated insulating states and quantum anomalous Hall (QAH) effect in twisted bilayer graphene (TBG) have drawn significant attention. However, up to date, the specific mechanisms of these intriguing phenomena are still open questions. Using a fully unrestricted Hartree-Fock variational method, we have explained the correlated insulating states and QAH effects at various integer fillings of the flat bands in TBG. Our results indicate that states breaking flavor (valley and spin) symmetries are energetically favored at all integer fillings. In particular, the corre…
This paper presents symmetry classes of the Hartree-Fock (HF) solutions of spin and orbital ordered states in a t_{2g} Hubbard model on a two-dimensional square lattice. Using a group theoretical bifurcation theory of the Hartree Fock equation, we obtained many types of broken symmetry solutions which bifurcate from the normal state through one step transition in cases of commensurate ordering vectors Q_0=(0,0), Q_1=(π,π), Q_2=(π,0) and Q_3=(0,π). Each broken symmetry state is characterized by the presence of local order parameters(LOP) at each lattice site: quadrupole moment Q=(Q_2^2,Q_{12},Q…
We apply the density matrix renormalization group (DMRG) to study the phase diagram of the infinite U Hubbard model on 2-, 4-, and 6-leg ladders. Where the results are largely insensitive to the ladder width, we consider the results representative of the 2D square lattice model. We find a fully polarized ferromagnetic Fermi liquid phase when n, the density of electrons per site, is in the range 1>n>n_F ~ 4/5. For n=3/4 we find an unexpected commensurate insulating "checkerboard" phase with coexisting bond density order with 4 sites per unit cell and block spin antiferromagnetic order with 8 si…
