arXiv subjects
Publications and source records attributed to Masatoshi Imada.
We propose a new shell model method, combining the Lanczos digonalization and extrapolation method. This method can give accurate shell model energy from a series of shell model calculations with various truncation spaces, in a well-controlled manner. Its feasibility is demonstrated by taking the fp shell calculations.
Relationship among Wigner crystal, charge order and Mott insulator is studied by the path-integral renormalization group method for two-dimensional lattices with long-range Coulomb interaction. In contrast to Hartree-Fock results, the solid stability drastically increases with lattice commensurability. The transition to liquid occurs at the electron gas parameter $r_s \sim 2$ for the filling $n=1/2$ showing large reduction from $r_s \sim 35$ in the continuum limit. Correct account of quantum fluctuations are crucial to understand charge-order stability generally observed only at simple fractional fillings and nature of quantum liquids away from them.
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$_2(CN)_3$.
Metals approaching the Mott insulator generate a new hierarchy in the electronic structure accompanied by a momentum dependent electron differentiation, beyond the Mott-Hubbard, Brinkman-Rice and Slater pictures of the Mott transition. To consider such nonlinear phenomenon, we develop an analytic nonperturbative theory based on operator projections combined with a self-consistent treatment of the low-energy excitations. This reproduces the formation of the Hubbard bands, Mott gap, spin fluctuations, mass divergence, diverging charge compressibility, and strongly renormalized flat and damped dispersion similar to angle-resolved photoemission data in high-T_c cuprates. Main structures in electronic spectra show a remarkable similarity to numerical results.
Numerical studies on Mott transitions caused by the control of the ratio between bandwidth and electron-electron interaction ($U$) are reported. By using the recently proposed path-integral renormalization group(PIRG) algorithm, physical properties near the transitions in the ground state of two-dimensional half-filled models with the nearest and the next-nearest neighbor transfers ($-t$ and $t'$, respectively) are studied as a prototype of geometrically frustrated system. The nature of the bandwidth-control transitions shows sharp contrast with that of the filling-control transitions: First, the metal-insulator and magnetic transitions are separated each other and the metal-insulator (MI) transition occurs at smaller $U$, although the both transition interactions $U$ increase with increasing $t'$. Both transitions do not contradict the first-order transitions for smaller $t'/t$ while the MI transitions become continuous type accompanied by emergence of {\it unusual metallic phase} near the transition for large $t'/t$. A nonmagnetic insulator phase is stabilized between MI and AF transitions. The region of the nonmagnetic insulator becomes wider with increasing $t'/t$. The phase diagram naturally connects two qualitatively different limits, namely the Hartree-Fock results at small $t'/t$ and speculations in the strong coupling Heisenberg limit.
Thermodynamic and dynamical properties of filling-control metal-insulator transition (MIT) in the Hubbard model are studied by the operator projection method, especially in two dimensions. This is a non-perturbative analytic approach to many-body systems. The present theory incorporates the Mott-Hubbard, Brinkman-Rice and Slater pictures of the MIT into a unified framework, together with reproducing low-energy narrow band arising from spin-charge fluctuations. At half filling, single-particle spectra $A(ω, k)$ show formation of two Hubbard bands and their antiferromagnetic shadows separated by a Mott gap in the plane of energy $ω$ and momentum $k$ with lowering temperatures. These four bands produce splitting to two low-energy narrow bands and two SDW-like bands in the dispersion. Near half filling, the low-energy narrow band persists at low temperatures. This narrow band has a particularly weak dispersion and large weights around $(π, 0)$ and $(0, π)$ momenta. The velocity of these low-energy excitations is shown to vanish towards the MIT, indicating the mass divergence as in the Brinkman-Rice picture, but most prominently around $(π,0)$ and $(0,π)$ with strong momentum dependence. This reflects the suppression of the coherence near the MIT. Main structures in $A(ω, k)$ show remarkable similarities to quantum Monte-Carlo results in two dimensions as well as in the one-dimensional Hubbard model. The charge compressibility appears to diverge with decreasing doping concentration in both one and two dimensions in agreement with the exact and quantum Monte-Carlo results. We also discuss implications of the flat dispersion formed near the Fermi level to the observations in high-$\Tc$ cuprate superconductors.
The possibility of the $D_{3d}$ distortion of ${\rm TiO}_6$ octahedra is examined theoretically in order to understand the origin of the G-type antiferromagnetism (AFM(G)) and experimentally observed puzzling properties of ${\rm LaTiO}_3$. By utilizing an effective spin and pseudospin Hamiltonian with the strong Coulomb repulsion, it is shown that AFM(G) state is stabilized through the lift of the $t_{2g}$-orbital degeneracy accompanied by a tiny $D_{3d}$-distortion . The estimated spin-exchange interaction is in agreement with that obtained by the neutron scattering. Moreover, the level-splitting energy due to the distortion can be considerably larger than the spin-orbit interaction even when the distortion becomes smaller than the detectable limit under the available experimental resolution. This suggests that the orbital momentum is fully quenched and the relativistic spin-orbit interaction is not effective in this system, in agreement with recent neutron-scattering experiment.
A new efficient numerical algorithm for interacting fermion systems is proposed and examined in detail. The ground state is expressed approximately by a linear combination of numerically chosen basis states in a truncated Hilbert space. Two procedures lead to a better approximation. The first is a numerical renormalization, which optimizes the chosen basis and projects onto the ground state within the fixed dimension, $L$, of the Hilbert space. The second is an increase of the dimension of the truncated Hilbert space, which enables the linear combination to converge to a better approximation. The extrapolation $L\to\infty$ after the convergence removes the approximation error systematically. This algorithm does not suffer from the negative sign problem and can be applied to systems in any spatial dimension and arbitrary lattice structure. The efficiency is tested and the implementation explained for two-dimensional Hubbard models where Slater determinants are employed as chosen basis. Our results with less than 400 chosen basis indicate good accuracy within the errorbar of the best available results as those of the quantum Monte Carlo for energy and other physical quantities.
Superconducting mechanism mediated by interband exchange Coulomb repulsion is examined in an extended two-band Hubbard models with a wide band crossing the Fermi level and coexisting with a narrower band located at moderately lower energy. We apply newly developed path-integral renormalization group method to reliably calculate pairing correlations. The correlation shows marked enhancement at moderate amplitudes of the exchange Coulomb repulsion taken smaller than the on-site repulsion for the narrower band. The pairing symmetry is s-wave while it has unconventional phases with the opposite sign between the order parameters on the two bands, in agreement with the mean-field prediction. Since the band structure of recently discovered superconductor MgB$_2$ shares basic similarities with our model, we propose that the present results provide a relevant clue for the understanding of the superconducting mechanism in MgB$_2$ as well as in this class of multi-band materials with good metallic conduction in the normal state.
A new non-perturbative framework for many-body correlated systems is formulated by extending the operator projection method (OPM). This method offers a systematic expansion which enables us to project into the low-energy structure after extracting the higher-energy hierarchy. This method also opens a way to systematically take into account the effects of collective excitations. The Mott-Hubbard metal-insulator transition in the Hubbard model is studied by means of this projection beyond the second order by taking into account magnetic and charge fluctuations in the presence of the high-energy Mott-Hubbard structure. At half filling, the Mott-Hubbard gap is correctly eproduced between the separated two bands. Near half filling, a strongly renormalized low-energy single-particle excitations coexisting with the Mott-Hubbard bands are shown to appear. Signifcance of momentum-dependent self-energy in the results is stressed.
The properties and mechanism of the magnetic phase transition of the perovskite-type Ti oxides, which is driven by the Ti-O-Ti bond angle distortion, are studied theoretically by using the effective spin and pseudospin Hamiltonian with strong Coulomb repulsion. It is shown that the A-type antiferromagnetic (AFM(A)) to ferromagnetic (FM) phase transition occurs as the Ti-O-Ti bond angle is decreased. Through this phase transition, the orbital state changes only little whereas the spin-exchange coupling along the c-axis is expected to change from positive to negative nearly continuously and approaches zero at the phase boundary. The resultant strong two-dimensionality in the spin coupling causes rapid suppression of the critical temperature, as observed experimentally. It may induce large quantum fluctuations in this region.
Superconducting mechanism of cuprates is discussed in the light of the proximity of the Mott insulator. The proximity accompanied by suppression of coherence takes place in an inhomogeneous way in the momentum space in finite-dimensional systems. Studies on instabilities of metals consisted of such differentiated electrons in the momentum space are reviewed from a general point of view. A typical example of the differentiation is found in the flattening of the quasiparticle dispersion discovered around momenta $(π,0)$ and $(0,π)$ on 2D square lattices. This flattening even controls the criticality of the metal-insulator transition. Such differentiation and suppressed coherence subsequently cause an instability to the superconducting state in the second order of the strong coupling expansion. The d-wave pairing interaction is generated from such local but kinetic processes in the absence of disturbance from the coherent single-particle excitations. The superconducting mechanism emerges from a direct kinetic origin which is conceptually different from the pairing mechanism mediated by bosonic excitations as in magnetic, excitonic, and BCS mechanisms. Pseudogap phenomena widely observed in the underdoped cuprates are then naturally understood from the mode-mode coupling of d-wave superconducting (dSC) fluctuations repulsively coupled with antiferromagnetic (AFM) ones. When we assume the existence of a strong d-wave channel repulsively competing with AFM fluctuations under the formation of flat and damped single-particle dispersion, we reproduce basic properties of the pseudogap seen in the magnetic resonance, neutron scattering, angle resolved photoemission and tunneling measurements in the cuprates.
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from the optimized linear combination of retained states in the truncated Hilbert space with numerically chosen basis. This algorithm does not suffer from the negative sign problem and can be applied to any type of Hamiltonian in any dimension. The efficiency is tested in examples of the Hubbard model where the basis of Slater determinants is numerically optimized. We show results on fast convergence and accuracy achieved with small number of retained states.
Different models for doping of two-orbital chains with mobile $S=1/2$ fermions and strong, ferromagnetic (FM) Hund's rule couplings stabilizing the S=1 spins are investigated by density matrix renormalization group (DMRG) methods. The competition between antiferromagnetic (AF) and FM order leads to a rich phase diagram with a narrow FM region for weak AF couplings and strongly enhanced triplet pairing correlations. Without a level difference between the orbitals, the spin gap persists upon doping, whereas gapless spin excitations are generated by interactions among itinerant polarons in the presence of a level difference. In the charge sector we find dominant singlet pairing correlations without a level difference, whereas upon the inclusion of a Coulomb repulsion between the orbitals or with a level difference, charge density wave (CDW) correlations decay slowest. The string correlation functions remain finite upon doping for all models.
We analyze pseudogap phenomena widely observed in the underdoped cuprates. We assume the existence of a strong d-wave pairing force competing with antiferromagnetic(AFM) fluctuations and the formation of flat and damped dispersion around the $(π,0)$ and $(0,π)$ region as two important elements caused by the proximity from the Mott insulator. Using the mode-mode coupling theory for the d-wave superconducting(dSC) and AFM fluctuations, we reproduce basic properties of the pseudogap seen in the magnetic resonance, neutron scattering, angle resolved photoemission and tunneling measurements in the cuprates. Then minimal requirements to understand the pseudogap phenomena are clarified as the above two elements. A strong competition of the pairing with the antiferromagnetic fluctuations suppresses the transition temperature thereby generates the pseudogap in the underdoped region while the weakness of the AFM fluctuations leads to the absence of the pseudogap at the optimal doping concentration.}
Aspects of electron critical differentiation are clarified in the proximity of the Mott insulator. The flattening of the quasiparticle dispersion appears around momenta $(π,0)$ and $(0,π)$ on square lattices and determines the criticality of the metal-insulator transition with the suppressed coherence in that momentum region of quasiparticles. Such coherence suppression at the same time causes an instability to the superconducting state if a proper incoherent process is retained. The d-wave pairing interaction is generated from such retained processes without disturbance from the coherent single-particle excitations. Pseudogap phenomena widely observed in the underdoped cuprates are then naturally understood from the mode-mode coupling of d-wave superconducting(dSC) fluctuations with antiferromagnetic ones. When we assume the existence of a strong d-wave pairing force repulsively competing with antiferromagnetic(AFM) fluctuations under the formation of flat and damped single-particle dispersion, we reproduce basic properties of the pseudogap seen in the magnetic resonance, neutron scattering, angle resolved photoemission and tunneling measurements in the cuprates.
Properties and mechanism of the magnetic phase transition of the perovskite-type Ti oxides, which is driven by the Ti-O-Ti bond angle distortion, are studied theoretically by using the effective spin and pseudo-spin Hamiltonian with strong Coulomb repulsion. It is shown that the A-type antiferromagnetic(AFM(A)) to ferromagnetic(FM) phase transition occurs as the Ti-O-Ti bond angle is decreased. Through this phase transition, the orbital state is hardly changed so that the spin-exchange coupling along the c-axis changes nearly continuously from positive to negative and takes approximately zero at the phase boundary. The resultant strong two-dimensionality in the spin coupling causes a rapid suppression of the critical temperature as is observed experimentally.
A minimal model is proposed for the perovskite manganese oxides showing the strongly incoherent charge dynamics with a suppressed Drude weight in the ferromagnetic and metallic phase near the insulator. We investigate a generalized double-exchange model including three elements; the orbital degeneracy of $e_g$ conduction bands, the Coulomb interaction and fluctuating Jahn-Teller distortions. We demonstrate that Lancz$\ddot{\rm o}$s diagonalization calculations combined with Monte Carlo sampling of the largely fluctuating lattice distortions result in the optical conductivity which quantitatively accounts for the experimental indications. It is found that all the three elements are indispensable to understand the charge dynamics in these compounds.