Correlated insulated phase suggests bond order between band and mott insulators in two dimensions

We investigate the ground state phase diagram of the half-filled repulsive Hubbard model in two dimensions in the presence of a staggered potential Delta, the so-called ionic Hubbard model, using cluster dynamical mean-field theory. We find that for large Coulomb repulsion, U > Delta, the system is a Mott insulator (MI). For weak to intermediate values of Delta, on decreasing U, the Mott gap closes at a critical value Uc1(Delta) beyond which a correlated insulating phase with possible bond order is found. Further, this phase undergoes a first-order transition to a band insulator (BI) at Uc2(Delta) with a finite charge gap at the transition. For large Delta, there is a direct first-order transition from a MI to a BI with a single metallic point at the phase boundary.     

Optical-spectroscopic detection of spin-exchange interaction pyrochlore molybdates

Optical spectroscopy was used to determine nearest-neighbor spin correlations in pyrochlore molybdates R2Mo2O7 (R=Y, Sm, and Nd), which exhibit ferromagnetic metal to spin-glass insulator transition as the R ion size decreases. Using an analysis based on the orbitally degenerate Hubbard model, we could estimate important physical parameters, such as the effective on-site Coulomb energy U(eff) and the Hund rule exchange coupling J(H). We demonstrated experimentally and theoretically that the effective superexchange interaction between the Mo ions depends on J(H)/U(eff), which determines the phase boundary of the magnetic ground states.     

Traces of the evolution from Mott insulator to a band insulator in the pair excitation spectra

We inspect the fundamental difference between the correlated band insulators (BI) and the Mott insulators (MI) from the perspective of the dynamical pair excitations. To this end, we investigated the physics of the two-plane Hubbard model by employing the well-tested dynamical mean field theory (DMFT) together with the quantum Monte Carlo (QMC) method. At half-filling our results clearly indicate that while the spectral weight of the pair excitation becomes minimal at MI which corresponds to a diminishing of the double occupancy, the opposite occurs at BI. We then discuss the effect of doping and find that the correlated band insulator and the Mott insulator robust at low doping concentration and the metallic state emerges at larger doping. The pair spectral function demonstrates that the metallic state of doped MI is strongly different from that of doped BI and it is readily reflected in the lineshape of the spectra. We discuss the implication of our results in the context of the two-particle spectroscopy.     

电荷转移型Hubbard模型的相图

用玻色化技术和高斯波泛函变分理论研究了电荷转移型Hubbard模型.通过自旋密度波和电荷密度波的位相结构的变化，并结合其相应能隙的变化，得到以下结论：系统的Ising相变与Mott相变不重合，中间有一个SDI(spontaneouslydimerizedinsulating)的过渡相.在BI(band-insulator)相，自旋密度波与电荷密度波都具有能隙，而在MI(Mott-insulator)相，电荷密度波具有能隙，自旋密度波没有能隙. 关键词： Hubbard模型 电荷密度波 自旋密度波 相图     

Superfluid to Mott‐insulator transition in an anisotropic two‐dimensional optical lattice

We study the superfluid to Mott‐insulator transition of bosons in an optical anisotropic lattice by employing the Bose‐Hubbard model living on a two‐dimensional lattice with anisotropy parameter κ. The compressible superfluid state and incompressible Mott‐insulator (MI) lobes are efficiently described analytically, using the quantum U(1) rotor approach. The ground state phase diagram showing the evolution of the MI lobes is quantified for arbitrary values of κ, corresponding to various kind of lattices: from square, through rectangular to almost one‐dimensional.     

Microscopic study of a spin-orbit-induced Mott insulator in Ir oxides

Motivated by recent experiments of a novel 5d Mott insulator in Sr2IrO4, we have studied the two-dimensional three-orbital Hubbard model with a spin-orbit coupling λ. The variational Monte Carlo method is used to obtain the ground state phase diagram with varying an on-site Coulomb interaction U as well as λ. It is found that the transition from a paramagnetic metal to an antiferromagnetic insulator occurs at a finite U=U(MI), which is greatly reduced by a large λ, characteristic of 5d electrons, and leads to the "spin-orbit-induced" Mott insulator. It is also found that the Hund's coupling induces the anisotropic spin exchange and stabilizes the in-plane antiferromagnetic order. We have further studied the one-particle excitations by using the variational cluster approximation and revealed the internal electronic structure of this novel Mott insulator. These findings are in agreement with experimental observations on Sr2IrO4.     

一维扩展离子Hubbard模型的相图研究

应用密度矩阵重整化群方法, 研究了存在交错离子势Δ时一维半满扩展Hubbard模型的相图. 通过计算关联函数、结构因子、位置算符等方法, 描绘了从Mott绝缘体-键有序绝缘体-Band 绝缘体的特性并给出了精确的相边界. 研究发现: 中间的键有序绝缘体相在相图中占据了很小的一部分区域, 当存在离子势Δ的情况下, 这个区域将会有所增大; 而当相互作用足够强时, 这个中间相消失. 给出了离子Hubbard模型(最近邻电子-电子相互作用V=0)的相图.     

Nonlocal Coulomb correlations in metals close to a charge order insulator transition

The charge ordering transition induced by the nearest-neighbor Coulomb repulsion V in the 1/4-filled extended Hubbard model is investigated using cellular dynamical mean-field theory. We find a transition to a strongly renormalized charge ordered Fermi liquid at V(CO) and a metal-to-insulator transition at V(MI)>V(CO). Short range antiferromagnetism occurs concomitantly with the CO transition. Approaching the charge ordered insulator, V approximately 相似文献   

Separation of orbital contributions to the optical conductivity of BaVS(3)

The correlation-driven metal-insulator transition (MIT) of BaVS(3) was studied by polarized infrared spectroscopy. In the metallic state two types of electrons coexist at the Fermi energy: the quasi-1D metallic transport of A(1g) electrons is superimposed on the isotropic hopping conduction of localized E(g) electrons. The "bad-metal" character and the weak anisotropy are the consequences of the large effective mass m(eff) approximately 7 m(e) and scattering rate Gamma > or = 160 meV of the quasiparticles in the A(1g) band. There is a pseudogap above T(MI) = 69 K, and in the insulating phase the gap follows the BCS-like temperature dependence of the structural order parameter with Delta(ch) approximately 42 meV in the ground state. The MIT is described in terms of a weakly coupled two-band model.     

Superfluid-insulator transition of strongly interacting fermi gases in optical lattices

We study a quantum phase transition between fermion superfluid (SF) and band insulator (BI) of fermions in optical lattices. The destruction of the band insulator is driven by the energy gain in promoting fermions from valance band to various conducting bands to form Cooper pairs. We show that the transition must take place in lattice height Vo/ER between 2.23 and 4.14. The latter is the prediction of mean-field theory while the former is the value for opening a band gap. As one moves across resonance to the molecule side, the SF-BI transition evolves into the SF-Mott-insulator transition of bosonic molecules. We shall also present the global phase diagram for SF-insulator transition for the BCS-BEC family.     

First-order transition between a small gap semiconductor and a ferromagnetic metal in the isoelectronic alloy FeSi1-xGex

The contrasting ground states of isoelectronic, isostructural FeSi and FeGe are explained within an extended local density approximation scheme (LDA+U) by an appropriate choice of the Coulomb repulsion U on the Fe sites. A minimal two-band model with interband interactions leads to a phase diagram for the alloys FeSi1-xGex. A mean field approximation gives a first-order transition between a small gap semiconductor and a ferromagnetic metal as a function of magnetic field, temperature, and concentration x. Unusually the transition from metal to insulator is driven by broadening, not narrowing, the bands and it is the metallic state that shows magnetic order.     

Half-filled Kondo lattice on the honeycomb lattice

The unique linear density of state around the Dirac points for the honeycomb lattice brings much novel features in strongly correlated models. Here we study the ground-state phase diagram of the Kondo lattice model on the honeycomb lattice at half-filling by using an extended mean-field theory. By treating magnetic interaction and Kondo screening on an equal footing, it is found that besides a trivial discontinuous first-order quantum phase transition between well-defined Kondo insulator and antiferromagnetic insulating state, there can exist a wide coexistence region with both Kondo screening and antiferromagnetic orders in the intermediate coupling regime. In addition, the stability of Kondo insulator requires a minimum strength of the Kondo coupling. These features are attributed to the linear density of state, which are absent in the square lattice. Furthermore, fluctuation effect beyond the mean-field decoupling is analyzed and the corresponding antiferromagnetic spin-density-wave transition falls into the O(3) universal class. Comparatively, we also discuss the Kondo necklace and the Kane-Mele-Kondo (KMK) lattice models on the same lattice. Interestingly, it is found that the topological insulating state is unstable to the usual antiferromagnetic ordered states at half-filling for the KMK model. The present work may be helpful for further study on the interplay between conduction electrons and the densely localized spins on the honeycomb lattice.     

Breakdown of metallic conductivity in quasicrystals

In the icosahedral phases i-AlCuFe, i-AlPdMn and i-AlPdRe, the electrical conductivity is in the same range as for doped semiconductors. Strong similarities are observed between the direct and tunneling conductivity for the i-AlPdRe phase and for disordered systems on both sides of the metal–insulator (MI) transition.     

Mott transition, antiferromagnetism, and d-wave superconductivity in two-dimensional organic conductors

We study the Mott transition, antiferromagnetism, and superconductivity in layered organic conductors using the cellular dynamical mean-field theory for the frustrated Hubbard model. A d-wave superconducting phase appears between an antiferromagnetic insulator and a metal for t'/t=0.3-0.7 or between a nonmagnetic Mott insulator (spin liquid) and a metal for t'/t>or=0.8, in agreement with experiments on layered organic conductors including kappa-(ET)2Cu2(CN)3. These phases are separated by a strong first-order transition. The phase diagram gives much insight into the mechanism for -wave superconductivity. Two predictions are made.     

Phase diagram for a Bose-Einstein condensate moving in an optical lattice

The stability of superfluid currents in a system of ultracold bosons was studied using a moving optical lattice. Superfluid currents in a very weak lattice become unstable when their momentum exceeds 0.5 recoil momentum. Superfluidity vanishes already for zero momentum as the lattice deep reaches the Mott insulator (MI) phase transition. We study the phase diagram for the disappearance of superfluidity as a function of momentum and lattice depth between these two limits. Our phase boundary extrapolates to the critical lattice depth for the superfluid-to-MI transition with 2% precision. When a one-dimensional gas was loaded into a moving optical lattice a sudden broadening of the transition between stable and unstable phases was observed.     

Zoo of quantum phases and excitations of cold bosonic atoms in optical lattices

Quantum phases and phase transitions of weakly to strongly interacting bosonic atoms in deep to shallow optical lattices are described by a single multiorbital mean-field approach in real space. For weakly interacting bosons in one dimension, the critical value of the superfluid to Mott insulator (MI) transition found is in excellent agreement with many-body treatments of the Bose-Hubbard model. For strongly interacting bosons, (i) additional MI phases appear, for which two (or more) atoms residing in each site undergo a Tonks-Girardeau-like transition and localize, and (ii) on-site excitation becomes the excitation lowest in energy. Experimental implications are discussed.     

Metal-insulator transitions: influence of lattice structure, jahn-teller effect, and Hund's rule coupling

We study the influence of the lattice structure, the Jahn-Teller effect, and the Hund's rule coupling on a metal-insulator transition in A(n)C60 (A = K,Rb). The difference in the lattice structure favors A3C60 (fcc) being a metal and A4C60 (bct) being an insulator, and the coupling to H(g) Jahn-Teller phonons favors A4C60 being nonmagnetic. The coupling to H(g) ( A(g)) phonons decreases (increases) the value U(c) of the Coulomb integral at which the metal-insulator transition occurs. There is an important partial cancellation between the Jahn-Teller effect and the Hund's rule coupling.     

Reentrant phenomenon in the quantum phase transitions of a gas of bosons trapped in an optical lattice

We calculate the location of the quantum phase transitions of a Bose gas trapped in an optical lattice as a function of effective scattering length a(eff) and temperature T. Knowledge of recent high-loop results on the shift of the critical temperature at weak couplings is used to locate a nose in the phase diagram above the free Bose-Einstein critical temperature T((0))(c), thus predicting the existence of a reentrant transition above T((0))(c), where a condensate should form when increasing a(eff). At zero temperature, the transition to the normal phase produces the experimentally observed Mott insulator.