We investigate the general structure of orbital exchange physics in Mott-insulating states of $p$-orbital systems in optical lattices. Orbital orders occur in both the triangular and Kagome lattices. In contrast, orbital exchange in the honeycomb lattice is frustrated as described by a novel quantum 120$^\circ$-model. Its classical ground states are mapped into configurations of the fully-packed loop model with an extra U(1) rotation degree of freedom. Quantum orbital fluctuations select a six-site plaquette ground state ordering pattern in the semiclassical limit from the ``order from disorder'' mechanism. This effect arises from the appearance of a zero energy flat-band of orbital excitations.
The magnetic properties and Mott transition of the half-filled Hubbard model on the 1/5 depleted square lattice with frustration is studied at zero temperature by the variational cluster approximation. The $(π,π)$ Néel ordering (AF) is stable in a wide region of the phase diagram and almost completely veils the non-magnetic Mott transition for the unfrustrated case. However, AF is severely suppressed by the frustration and even with moderate frustrations the non-magnetic Mott transition takes place in the range where the intra-dimer hoppings are larger than the intra-plaquette hoppings.
The magnetic properties and Mott transition of the Hubbard model on the square lattice with frustration are studied at half-filling and zero temperature by the variational cluster approximation. When the on-site repulsion $U$ is large, magnetically disordered state is realized in highly frustrated region between the Néel and collinear phases, and no imcommensurate magnetic states are found there. As for the Mott transition, in addition to the Mott gap and double occupancy, which clarify the nature of the transition, the structure of the self-energy in the spectral representation is studied in …
To search for novel spin-charge coupled phenomena in the strongly correlated electron system on a frustration lattice, charge transport and dynamics have been investigated for the hole-doped spin-glass (Mott) insulator (Y$_{1-x}$Cd$_{x}$)$_{2}$Mo$_{2}$O$_{7}$ with pyrochlore structure. Coincident with the disappearance of spin-glass state by hole doping, a diffusive metallic transport with strongly renormalized electron mass shows up with no long range spin order, which is caused by strong antiferromagnetic spin fluctuation due to the geometrical frustration.
Using variational cluster approach, we study influence of frustration and dimensionality on magnetic properties in the ground state of Hubbard model on a stacked square lattice in the large $U$ region (U/t=10), by changing the next-nearest-neighbor hopping, $t^{\prime}$, and the interlayer hopping, $t_{\perp}$. For small $t_{\perp}<t^{\ast}_{\perp}$ with $t^{\ast}_{\perp}/t{\approx}0.44$, antiferromagnetic long-range order appears at small $t^{\prime}<t^{\prime}_{c_{1}}$, and collinear magnetic long-range order at large $t^{\prime}>t^{\prime}_{c_{2}}$. They are separated by a paramagnetic Mott…
The two-orbital Hubbard model on a square lattice at quarter filling (electron number per site $n=1$) is investigated by the variational Monte Carlo method. For the variational wave function, we include short-range doublon-holon binding factors. We find that the energy of this wave function is lower than that of the density-density Jastrow wave function partially including long-range correlations used in a previous study. We introduce frustration to the model by the next-nearest-neighbor hopping $t'$ in addition to the nearest-neighbor hopping $t$. For $t'=0$, a ferromagnetic state with stagge…
We study a range of thermodynamic properties (charge susceptibility, specific heat, entropy and spin susceptibility) of the Hubbard model on the anisotropic triangular lattice at half filling by means of the numerical finite-temperature Lanczos method. We observe clear signatures of a metal-Mott insulator transition in the charge susceptibility, and show that the metallic phase is characterized by a small charge susceptibility, large entropy, low coherence temperature, large renormalized quasiparticle mass, and large spin susceptibility. We show that the local magnetic moment in the metallic p…
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…
The mechanism that drives a metal-insulator transition in an undoped quasi-one-dimensional Mott insulator is examined in the framework of the Hubbard model with two different hoppings t_{perp 1} and t_{perp 2} between nearest-neighbor chains. By applying an N_{perp}-chain renormalization group method at the two-loop level, we show how a metallic state emerges when both t_{perp 1} and t_{perp 2} exceed critical values. In the metallic phase, the quasiparticle weight becomes finite and develops a strong momentum dependence. We discuss the temperature dependence of the resistivity and the impact …
We investigate a detail of a dodecamer cluster ordering in a double-exchange spin ice model on a kagomé lattice. In frustrated systems, ordinary spin orderings are suppressed and macroscopic degeneracy remains down to low temperatures. In some frustrated systems, the degeneracy is lifted due to residual interactions and cluster orderings are stabilized. In the present model, the spin ice state is first formed at intermediate temperatures, and further entropies are released at lower temperatures as the dodecamer phase emerges. Since the spin symmetry is not broken in the dodecamer phase, there …
We study phase diagrams of the Hubbard model on anisotropic triangular lattices, which also represents a model for $κ$-type BEDT-TTF compounds. In contrast with mean-field predictions, path-integral renormalization group calculations show a universal presence of nonmagnetic insulator sandwitched by antiferromagnetic insulator and paramagnetic metals. The nonmagnetic phase does not show a simple translational symmetry breakings such as flux phases, implying a genuine Mott insulator. We discuss possible relevance on the nonmagnetic insulating phase found in $κ$-(ET)$_2$Cu$_2(CN)_3$.
Mechanisms of Mott transitions and dx2-y2-wave superconductivity (SC) are studied in the half-filled-band Hubbard model on square lattices with a diagonal hopping term (t'), using an optimization (or correlated) variational Monte Carlo method. In the trial wave functions, a doublon-holon binding effect is introduced in addition to the onsite Gutzwiller projection. We mainly treat a d-wave singlet state and a projected Fermi sea. In both wave functions, first-order Mott transitions without direct relevance to magnetic orders take place at U=Uc approximately of the bandwidth for arbitrary t'/t. …
Ground State Properties of the Doped Kitaev-Heisenberg Chain: Topological Superconducting and Mott Insulating Phases Driven by Magnetic Frustration
University of Warsaw（华沙大学）；TU Wien（维也纳工业大学）；Technical University Dresden（德累斯顿工业大学）；Institute for Theoretical Solid State Physics, IFW Dresden（德累斯顿联邦材料研究所理论固态物理研究所）
We investigate the paramagnetic-metal-to-antiferromagnetic-metal and antiferromagnetic-metal-to- antiferromagnetic-insulator transitions using a slave-boson mean-field theory. To this effect, we discuss the ground state of the half-filled Hubbard model as a function of t'/t and correlation strength U, where t and t' are the hopping amplitudes between nearest and next-nearest neighbors, respectively. The metal-insulator transition at a critical U_{MIT} is of second order for small levels of magnetic frustration, t'/t<0.06, and of first order for large ones, t'/t>0.06. The insulator is always an…
Electronic frustration and strong correlations may lead to large Seebeck coefficients. To understand this physics on general grounds, we compute the thermopower of the one-band Hubbard model on the 3-dimensional fcc lattice over the whole range of fillings for intermediate and large interaction strength. Dynamical mean-field theory shows that when the density approaches half-filling, the fcc lattice at strong coupling exhibits a large low temperature Seebeck coefficient $S$. The largest effect occurs as one approaches $n=1$ from dopings where electronic frustration is maximized. The high-frequ…
We investigate the Hubbard model on the anisotropic triangular lattice by means of the cellular dynamical mean field theory. The phase diagram determined in the Hubbard interaction versus temperature plane shows novel reentrant behavior in the Mott transition due to the competition between Fermi-liquid formation and magnetic correlations under geometrical frustration. We demonstrate that the reentrant behavior is characteristic of the Mott transition with intermediate geometrical frustration and indeed consistent with recent experimental results of organic materials.
The intertwined charge, spin, orbital, and lattice degrees of freedom could endow 5d compounds with exotic properties. Current interest is focused on electromagnetic interactions in these materials, whereas the important role of lattice geometry remains to be fully recognized. For this sake, we investigate pressure-induced phase transitions in the spin-orbit Mott insulator Sr3Ir2O7 with Raman, electrical resistance, and x-ray diffraction measurements. We reveal an interesting magnetic transition coinciding with a structural transition at 14.4 GPa, but without a concurrent insulator-metal trans…
We theoretically investigate the effects of charge order and spin frustration on the spin ordering in TMTTF salts. Using first-principles band calculations, we find that a diagonal inter-chain transfer integral $t_{q1}$, which causes spin frustration between the inter-chain dimers in the dimer-Mott insulating state, strongly depends on the choice of anion. Within the numerical Lanczos exact diagonalization method, we show that the ferroelectric charge order changes the role of $t_{q1}$ from the spin frustration to the enhancement of the two-dimensionality in spin sector. The results indicate t…
This review article is devoted to the interplay between frustrated magnetism and quantum critical phenomena, covering both theoretical concepts and ideas as well as recent experimental developments in correlated-electron materials. The first part deals with local-moment magnetism in Mott insulators and the second part with frustration in metallic systems. In both cases, frustration can either induce exotic phases accompanied by exotic quantum critical points or lead to conventional ordering with unconventional crossover phenomena. In addition, the competition of multiple phases inherent to fru…
The Shastry-Sutherland lattice, one of the simplest systems with geometric frustration, which has an exact eigenstate by putting singlets on diagonal bonds, can be realized in a group of layered compounds and rises both theoretical and experimental interest. Most of the previous studies on the Shastry-Sutherland lattice are focusing on the Heisenberg model. Here we opt for the Hubbard model to calculate phase diagrams over a wide range of interaction parameters, and show the competing effects of interaction, frustration and temperature. At low temperature, frustration is shown to favor a param…
An orbital ordering occurs in many transition metal compounds with Jahn-Teller ions and plays an important role in these materials. At the same time, exchange interactions in orbitally degenerate systems are inherently frustrated, even in materials with simple crystal lattices. We discuss the origin of this frustration, considering in detail materials with a cubic and triangular lattice of transition metal ions. We also discuss possible types of ground states of such systems, e.g., disordered orbital liquids and ordering due to the order-from-disorder mechanism.
Mott transition and ferrimagnetism are studied in the Hubbard model on the anisotropic kagomé lattice using the variational cluster approximation and the phase diagram at zero temperature and half-filling is analyzed. The ferrimagnetic phase rapidly grows as the geometric frustration is relaxed, and the Mott insulator phase disappears in moderately frustrated region, showing that the ferrimagnetic fluctuations stemming from the relaxation of the geometric frustration is enhanced by the electron correlations. In metallic phase, heavy fermion behavior is observed and mass enhancement factor is c…
The phase diagram of model Mott-insulator--band-insulator heterostructures is studied using the semiclassical approximation to the dynamical-mean-field method as a function of thickness, coupling constant, and charge confinement. An interface-stabilized ferromagnetic phase is found, allow the study of its competition and possible coexistence with the antiferromagnetic order characteristic of the bulk Mott insulator.
Motivated by recent experiments on BaCuSi2O6, we investigate magnetic excitations and quantum phase transitions of layered dimer magnets with inter-layer frustration. We consider two scenarios, (A) a lattice with one dimer per unit cell and perfect inter-layer frustration, and (B) an enlarged unit cell with inequivalent layers, with and without perfect frustration. In all situations, the critical behavior at asymptotically low temperatures is three-dimensional, but the corresponding crossover scale may be tiny. Magnetic ordering in case (B) can be discussed in terms of two condensates; remarka…
Anisotropic optical spectra coupled with antiferromagnetic spin ordering (SO) and orbital ordering (OO) have been investigated for single crystals of LaVO_{3} and YVO_{3}. The orbital-dependent Mott-Hubbard gap transitions are observed around 2 eV. The transitions composed of the two peaks show distinct anisotropy and selection rules, reflecting the respective SO and OO patterns. The temperature dependence of the anisotropic transitions clearly indicates the SO/OO correlation and the evolution of the order parameters.
We investigate the Hubbard model on two typical frustrated lattices in two dimensions, the kagome lattice and the anisotropic triangular lattice, by means of the cellular dynamical mean field theory. We show that the metallic phase is stabilized up to fairly large Hubbard interactions under strong geometrical frustration in both cases, which results in heavy fermion behavior and several anomalous properties around the Mott transition point. In particular, for the anisotropic triangular lattice, we find novel reentrant behavior in the Mott transition in the moderately frustrated parameter regim…
We explore the magnetic phases in a Kondo lattice model on the geometrically frustrated Shastry-Sutherland lattice at metallic electron densities, searching for noncollinear and noncoplanar spin textures. Motivated by experimental observations in many rare-earth-based frustrated metallic magnets, we treat the local moments as classical spins and set the coupling between the itinerant electrons and local moments as the largest energy scale in the problem. Our results show that a noncollinear flux state is stabilized over an extended range of Hamiltonian parameters. These spin states can be quen…
Structural phase transition accompanying with quadrupolar ordering in DyB4 with Shastry-Sutherland type geometrical frustration has been studied by X-ray diffraction. Previous study [D. Okuyama et al.: J. Phys. Soc. Jpn. 74 (2005) 2434.] using resonant X-ray scattering revealed short-range ordering of the Ozx-type quadrupolar moments and the c-plane component of the magnetic moments in addition to long-range ordering of the c-axis component of the magnetic moments. The present report focuses on the lattice distortion below the quadrupolar ordering temperature at TN2=12.7 K. The (0 0 l=integer)…
We investigate the finite temperature properties of the half filled Hubbard model in two dimensions, with onsite interaction ($U$), in presence of (frustrating) next nearest neighbor hopping ($t^{\prime}$) using a semiclassical approximation scheme. We show that introduction of $t^{\prime}$ results in a finite temperature pseudogapped (PG) phase that separates the small $U$ Fermi liquid and large $U$ Mott insulator. We map out the PG to normal metal crossover temperature scale ($T^*$) as a function of $U$ and $t^\prime$. We demonstrate that in the PG phase, the quadratic dependence of resistiv…
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.
The most elementary of all physical spin-orbital models is the Kugel-Khomskii model describing a S=1/2, $e_g$ degenerate Mott-insulator. Recent theoretical work is reviewed revealing that the classical limit is characterized by a point of perfect dynamical frustration. It is suggested that this might give rise to a quantum disordered ground state.
We show that the magnetic and vacancy orders in the 122 $(A_{1-y}Fe_{2-x}Se_2)$ iron-chalcogenides can be naturally derived from the $J_1-J_2-J_3$ model with $J_1$ being the ferromagnetic (FM) nearest neighbor exchange coupling and $J_{2}, J_3$ being the antiferromagnetic (AFM) next and third nearest neighbor ones respectively, previously proposed to describe the magnetism in the 11(FeTe/Se) systems. In the 11 systems, the magnetic exchange couplings are extremely frustrated in the ordered bi-collinear antiferromagnetic state so that the magnetic transition temperature is low. In the 122 syste…
Strong correlation effects, which are often associated to the approach to a Mott insulating state, in some cases may be observed even far from half-filling. This typically happens whenever the inter-site Coulomb repulsion induces a tendency towards charge ordering, an effect that confines the electrons, and in turn favors local moment formation, i.e. Mott localization. A distinct intermediate regime then emerges as a precursor of such a Wigner-Mott transition, which is characterized by both charge and spin correlations, displaying large mass enhancements and strong renormalizations of other Fe…
We investigate an effective Hamiltonian for Na0.5CoO2 that includes the electrostatic potential due to the ordered Na ions and strong electronic correlations. This model displays a subtle interplay between metallic and insulating phases and between charge and magnetic order. For realistic parameters, the model predicts an insulating phase with similarities to a covalent insulator. We show that this interpretation gives a consistent explanation of experiments on Na0.5CoO2, including the small degree of charge ordering, the small charge gap, the large moment, and the optical conductivity.
The Cairo pentagonal lattice, consisting of an irregular pentagonal tiling of magnetic ions on two inequivalent sites (3- and 4-co-ordinated ones), represents a fascinating example for studying geometric frustration effects in two-dimensions. In this work, we investigate the spin $S$ = $1/2$ Cairo pentagonal lattice with respect to selective exchange coupling (which effectively corresponds to a virtual doping of $x$ = $0, 1/6, 1/3$), in a nearest-neighbour antiferromagnetic Ising model. We also develop a simple method to quantify geometric frustration in terms of a frustration index $ϕ(β,T)$, …
The crystal structure and the magnetism of BaMn$_2$O$_3$ have been studied by thermodynamic and by diffraction techniques using large single crystals and powders. BaMn$_2$O$_3$ is a realization of a $S = 5/2$ spin ladder as the magnetic interaction is dominant along 180$^\circ$ Mn-O-Mn bonds forming the legs and the rungs of a ladder. The temperature dependence of the magnetic susceptibility exhibits well-defined maxima for all directions proving the low-dimensional magnetic character in BaMn$_2$O$_3$. The susceptibility and powder neutron diffraction data, however, show that BaMn$_2$O$_3$ exh…
We studied phase transitions and thermodynamic properties of the field-induced antiferromagnetic nuclear-spin ordered phase in bcc solid 3He by measuring the melting pressure at temperatures down to 0.4 mK in magnetic fields up to 15 T. The transition temperature from the paramagnetic phase is reentrant with increasing field with a maximum at 10 T. This indicates that the system is highly frustrated by the competing multiple-spin exchanges and excludes other mechanisms related to the zero-point vacancies. The upper critical field was estimated as 19.7 T, which reveals non-negligible contributi…
We synthesized a quasi-two-dimensional distorted triangular lattice antiferromagnet Ca$_3$CoNb$_2$O$_9$, in which the effective spin of Co$^{2+}$ is 1/2 at low temperatures, whose magnetic properties were studied by dc susceptibility and magnetization techniques. The x-ray diffraction confirms the quality of our powder samples. The large Weiss constant $θ_{CW}\sim$ $-55$ K and the low Neel temperature($T_N\sim$ 1.45 K) give a frustration factor $f$ ($=\midθ_{CW}/T_N \mid$) $\approx$ 38, suggesting that Ca$_3$CoNb$_2$O$_9$ resides in strong frustration regime. Slightly below $T_N$, deviation be…
Ginzburg-Landau theory describes phase transitions as the competition between energy and entropy: The ordered phase has lower energy, while the disordered phase has larger entropy. When heating the system, ordering is reduced entropically until it vanishes at the critical temperature. This established picture implicitly assumes that the energy difference between ordered and disordered phase does not change with temperature. We show that for the Mott insulator KCuF3 this assumption is strongly violated: thermal expansion energetically stabilizes the orbitally-ordered phase to such and extent th…
We have investigated possible spin and charge ordered states in 3d transition-metal oxides with small or negative charge-transfer energy, which can be regarded as self-doped Mott insulators, using Hartree-Fock calculations on d-p-type lattice models. It was found that an antiferromagnetic state with charge ordering in oxygen 2p orbitals is favored for relatively large charge-transfer energy and may be relevant for PrNiO$_3$ and NdNiO$_3$. On the other hand, an antiferromagnetic state with charge ordering in transition-metal 3$d$ orbitals tends to be stable for highly negative charge-transfer e…
We use exact diagonalization combined with mean-field theory to investigate the phase diagram of the spin-orbital model for cubic vanadates. The spin-orbit coupling competes with Hund's exchange and triggers a novel phase, with the ordering of $t_{2g}$ orbital magnetic moments stabilized by the tilting of VO$_6$ octahedra. It explains qualitatively spin canting and reduction of magnetization observed in YVO$_3$. At finite temperature an orbital Peierls instability in the $C$-type antiferromagnetic phase induces modulation of magnetic exchange constants even in absence of lattice distortions. T…
A one dimensional optical lattice is considered where a second dimension is encoded in the internal states of the atoms giving effective ladder systems. Frustration is introduced by an additional optical lattice that induces tunneling of superposed atomic states. The effects of frustration range from the stabilization of the Mott insulator phase with ferromagnetic order, to the breakdown of superfluidity and the formation of a macroscopically fragmented phase.
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with oppositely aligned $L=1$ and $S=1$ angular momenta. However, starting with the full multi-orbital electronic Hamiltonian, we show the low energy effective magnetic Hamiltonian contains isotropic superexchange spin interactions but anisotropic orbital interactions. By tuning the ratio of superexchange to spin-orbit coupling $J_\mathrm{SE}/λ$, we obtain a phase tra…
We study multilayer triangular lattice Ising antiferromagnets with interlayer interactions that are weak and frustrated in an abc stacking. By analysing a coupled height model description of these systems, we show that they exhibit a classical spin liquid regime at low temperature, in which both intralayer and interlayer correlations are strong but there is no long range order. Diffuse scattering in this regime is concentrated on a helix in reciprocal space, as observed for charge-ordering in the materials LuFe$_2$O$_4$ and YbFe$_2$O$_4$.
The magnetic properties of NaVO2 are investigated using full-potential linearized augmented plane wave method. We perform calculations for three structures. For the rhombohedral structure at 100 K, the t2g orbitals of V ions are split into upper a1g and lower e'g orbitals by a trigonal distortion of compression. For the monoclinic structure at 91.5 K, the system behaves like a frustrated spin lattice with spatially anisotropic exchange interactions. For another monoclinic structure at 20 K, the magnetic frustration is relieved by a lattice distortion which is driven by a certain orbital orderi…
We report investigations on the ground state magnetic properties of intermetallic compound GdCu through dc magnetization measurements. GdCu undergoes first order martensitic type structural transition over a wide temperature window of coexisting phases. The high temperature cubic and the low temperature orthorhombic phases have different magnetic character and they show antiferromagnetic and helimagnetic orderings below 145 K and 45 K respectively. We observe clear signature of a glassy magnetic phase below the helimagnetic ordering temperature, which is marked by thermomagnetic irreversibilit…
Quantum spin liquid states, in which spins are quantum-mechanically delocalized in direction, have been so far studied for charge-localized Mott insulators arising from strong repulsive interaction. Recently, however, it was found that the doped Mott insulator with a triangular lattice, $κ$-(ET)$_4$Hg$_{2.89}$Br$_8$, exhibits both spin-liquid-like magnetism and metallic electrical conduction. Thus, it is now possible to experimentally explore how the spin liquidity affects the electrical conduction, an issue that has received a great deal of theoretical attention. Here, with a newly developed …
We investigate the Mott transition in the Kagomé lattice Hubbard model using a cluster extension of dynamical mean field theory. The calculation of the double occupancy, the density of states, the static and dynamical spin correlation functions demonstrates that the system undergoes the first-order Mott transition at the Hubbard interaction $U/W \sim 1.4$ ($W$:bandwidth). In the metallic phase close to the Mott transition, we find the strong renormalization of three distinct bands, giving rise to the formation of heavy quasiparticles with strong frustration. It is elucidated that the quasipart…
We study a one-dimensional extended Hubbard model with longer-range Coulomb interactions at quarter-filling in the strong coupling limit. We find two different charge-ordered (CO) ground states as the strength of the longer range interactions is varied. At lower energies, these CO states drive two different spin-ordered ground states. A variety of response functions computed here bear a remarkable resemblance to recent experimental observations for organic TMTSF systems, and so we propose that these systems are proximate to a QCP associated with T=0 charge order. For a ladder system relevant t…
Based on dynamical cluster approximation (DCA) quantum Monte Carlo simulations, we study the interaction-driven Mott metal-insulator transition (MIT) in the half-filled Hubbard model on the anisotropic two-dimensional triangular lattice, where the degree of frustration is varied between the unfrustrated case and the fully frustrated, isotropic triangular lattice. Upon increasing the DCA cluster size, we analyze the evolution of the MIT phase boundary as a function of frustration in the phase diagram spanned by the interaction strength and temperature, and provide a quantitative description of …
We investigate the Mott transition using a cluster extension of dynamical mean field theory (DMFT). In the absence of frustration we find no evidence for a finite temperature Mott transition. Instead, in a frustrated model, we observe signatures of a finite temperature Mott critical point in agreement with experimental studies of kappa-organics and with single site DMFT. As the Mott transition is approached, a clear momentum dependence of the electron lifetime develops on the Fermi surface with the formation of cold regions along the diagonal direction of the Brillouin zone. Furthermore the va…
We study the Mott transition in Hubbard models with a degenerate band on different 3-dimensional lattices. While for a non-degenerate band only the half-filled system may exhibit a Mott transition, with degeneracy there can be a transition for any integer filling. We analyze the filling dependence of the Mott transition and find that $U_c$ (the Hubbard interaction $U$ at which the transition takes place) decreases away from half-filling. In addition we can change the lattice structure of the model. This allows us to study the influence of frustration on the Mott transition. We find that frustr…
We show how strongly correlated materials could be described within the framework of an excitonic insulator formalism, and delineate the relationship between inter- and intra-band ordering phenomena. Our microscopic model of excitons clarifies the fundamental role of Van-Hove-singularity-nesting in driving both inter- and intra-band ordering transitions, and uncovers an interesting connection with resonating-valence-bond physics.
We study the Mott phases and superfluid-insulator transition of spin-three bosons in an optical lattice with an anisotropic two dimensional optical trap. We chart out the phase diagrams for Mott states with $n=1$ and $n=2$ atoms per lattice site. It is shown that the long-range dipolar interaction stabilizes a state where the chains of the ferromagnetically aligned spins run along the longer trap direction while the spin ordering is staggered between nearby chains, leading to an antiferromagnetic ordering along the shorter trap direction. We also obtain the mean-field phase boundary for the su…
Honeycomb iridates are thought to have strongly spin-anisotropic exchange interactions that could lead to an extraordinary state of matter known as the Kitaev quantum spin liquid. The realization of this state requires almost perfectly frustrated interactions between the magnetic Ir$^{4+}$ ions, but small imbalances in energy make other ordered states more favorable. Indeed, the closeness in energy of these ordered states is itself a signature of the intrinsic frustration in the system. In this work, we illustrate that small magnetic fields can be employed to drive the frustrated quantum magne…
We investigate the Mott transition in the anisotropic kagomé lattice Hubbard model using the cellular dynamical mean field theory combined with continuous-time quantum Monte Carlo simulations. By calculating the double occupancy and the density of states, we determine the interaction strength of the first-order Mott transition and show that it becomes small as the anisotropy increases. We also calculate the spin correlation functions and the single-particle spectrum, and reveal that the quasiparticle and magnetic properties change dramatically around the Mott transition; the spin correlations …
Triangular Heisenberg antiferromagnets are prototypes of geometric frustration, even if for nearest-neighbor interactions quantum fluctuations are not usually strong enough to destroy magnetic ordering: stronger frustration is required to stabilize a spin-liquid phase. On the basis of static magnetization and electron spin resonance measurements, we demonstrate the emergence of ${\tilde{j}_{\text{eff}}=\frac12}$ moments in the triangular-lattice magnet Na$_2$BaCo(PO$_4$)$_2$. These moments are subject to an extra source of frustration that causes magnetic correlations to set in far above both …
