arXiv subjects

Masatoshi Imada

Publications and source records attributed to Masatoshi Imada.

At least 109 records · Page 6Linked to original sources

arXiv2010

Doped high-Tc cuprate superconductors elucidated in the light of zeros and poles of electronic Green's function

We study electronic structure of hole- and electron-doped Mott insulators in the two-dimensional Hubbard model to reach a unified picture for the normal state of cuprate high-Tc superconductors. By using a cluster extension of the dynamical mean-field theory, we demonstrate that structure of coexisting zeros and poles of the single-particle Green's function holds the key to understand Mott physics in the underdoped region. We show evidence for the emergence of non-Fermi-liquid phase caused by the topological quantum phase transition of Fermi surface by analyzing low-energy charge dynamics. The spectra calculated in a wide range of energy and momentum reproduce various anomalous properties observed in experiments for the high-Tc cuprates. Our results reveal that the pseudogap in hole-doped cuprates has a d-wave-like structure only below the Fermi level, while it retains non-d-wave structure with a fully opened gap above the Fermi energy even in the nodal direction due to a zero surface extending over the entire Brillouin zone. In addition to the non-d-wave pseudogap, the present comprehensive identifications of the spectral asymmetry as to the Fermi energy, the Fermi arc, and the back-bending behavior of the dispersion, waterfall, and low-energy kink, in agreement with the experimental anomalies of the cuprates, do not support that these originate from (the precursors of) symmetry breakings such as the preformed pairing and the d-density wave fluctuations, but support that they are direct consequences of the proximity to the Mott insulator. Several possible experiments are further proposed to prove or disprove our zero mechanism.

cond-mat.str-el↗

arXiv2010

Electronic and magnetic properties of metallic phases under coexisting short-range interaction and diagonal disorder

We study a three-dimensional Anderson-Hubbard model under the coexistence of short-range interaction and diagonal disorder within the Hartree-Fock approximation. We show that the density of states at the Fermi energy is suppressed in the metallic phases near the metal-insulator transition as a proximity effect of the soft Hubbard gap in the insulating phases. The transition to the insulator is characterized by a vanishing DOS in contrast to formation of a quasiparticle peak at the Fermi energy obtained by the dynamical mean field theory in pure systems. Furthermore, we show that there exist frozen spin moments in the paramagnetic metal.

cond-mat.str-el↗

arXiv2010

Unconventional quantum criticality emerging as a new common language of transition-metal compounds, heavy-fermion systems, and organic conductors

We analyze and overview several different unconventional quantum criticalities. One origin of the unconventionality is the proximity to first-order transitions. The border between the first-order and continuous transitions is described by a quantum tricritical point (QTCP) for symmetry-breaking transitions. One of the characteristic features is the concomitant divergence of order-parameter and uniform fluctuations in contrast to the conventional quantum critical point (QCP). Several puzzling non-Fermi-liquid properties are referred to be accounted for as in the cases of YbRh2Si2, CeRu2Si2 and beta-YbAlB4. Another more dramatic unconventionality appears in this case for topological transitions such as metal-insulator and Lifshitz transitions. This border, the marginal quantum critical point (MQCP), belongs to an unprecedented universality class with diverging uniform fluctuations at zero temperature. The MQCP has a unique feature by a combined character of symmetry-breaking and topological transitions. The theoretical results are supported by experimental indications for V2-xCrxO3 and an organic conductor kappa-(ET)2Cu[N(CN)2]Cl. Identifying topological transitions also reveals how non-Fermi liquid appears as a phase in metals. The theory also accounts for the criticality of a metamagnetic transition in ZrZn2, by interpreting it as an interplay of Lifshitz transition and correlation effects. We discuss common underlying physics in these examples.

cond-mat.str-el↗

arXiv2010

Ab initio Low-Dimensional Physics Opened Up by Dimensional Downfolding: Application to LaFeAsO

An ab initio downfolding method is formulated to construct low-dimensional models for correlated electrons. In addition to the band downfolding by constrained random phase approximation formulated for 3D models, screening away from the target layer (chain) is further involved. Eliminating the off-target degrees of freedom, namely, dimensional downfolding yields ab initio low-dimensional models. The method is applied to derive a 2D model for a layered superconductor LaFeAsO, where the interlayer screening crucially makes the effective interaction short ranged and reduces the onsite Coulomb interactions by 10-20 \% from the 3D model for the 5 iron-3d orbitals.

cond-mat.str-el↗

arXiv2010

Magnetic Properties of Ab initio Model for Iron-Based Superconductors LaFeAsO

By using variational Monte Carlo method, we examine an effective low-energy model for LaFeAsO derived from an ab initio downfolding scheme. We show that quantum and many-body fluctuations near a quantum critical point largely reduce the antiferromagnetic (AF) ordered moment and the model not only quantitatively reproduces the small ordered moment in LaFeAsO, but also explains the diverse dependence on LaFePO, BaFe2As2 and FeTe. We also find that LaFeAsO is under large orbital fluctuations, sandwiched by the AF Mott insulator and weakly correlated metals. The orbital fluctuations and Dirac-cone dispersion hold keys for the diverse magnetic properties.

cond-mat.str-el↗

arXiv2010

Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency

Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model parameters on the families are elucidated, many of which are understood from the systematic variation of the covalency between Fe-3d and pnictogen-/chalcogen-p orbitals.

cond-mat.supr-con↗

arXiv2009

Systematic Control of Carrier Doping without Disorder at Interface of Oxide Heterostructures

We propose a method to systematically control carrier densities at the interface of transition-metal oxide heterostructures without introducing disorders. By inserting non-polar layers sandwiched by polar layers, continuous carrier doping into the interface can be realized. This method enables us to control the total carrier densities per unit cell systematically up to high values of the order unity.

cond-mat.str-el↗

arXiv2009

Transition from Band insulator to Bose-Einstein Condensate superfluid and Mott State of Cold Fermi Gases with Multiband Effects in Optical Lattices

We study two models realized by two-component Fermi gases loaded in optical lattices. We clarify that multi-band effects inevitably caused by the optical lattices generate a rich structure, when the systems crossover from the region of weakly bound molecular bosons to the region of strongly bound atomic bosons. Here the crossover can be controlled by attractive fermion interaction. One of the present models is a case with attractive fermion interaction, where an insulator-superfluid transition takes place. The transition is characterized as the transition between a band insulator and a Bose-Einstein condensate (BEC) superfluid state. Differing from the conventional BCS superfluid transition, this transition shows unconventional properties. In contrast to the one particle excitation gap scaled by the superfluid order parameter in the conventional BCS transition, because of the multi-band effects, a large gap of one-particle density of states is retained all through the transition although the superfluid order grows continuously from zero. A reentrant transition with lowering temperature is another unconventionality. The other model is the case with coexisting attractive and repulsive interactions. Within a mean field treatment, we find a new insulating state, an orbital ordered insulator. This insulator is one candidate for the Mott insulator of molecular bosons and is the first example that the orbital internal degrees of freedom of molecular bosons appears explicitly. Besides the emergence of a new phase, a coexisting phase also appears where superfluidity and an orbital order coexist just by doping holes or particles. The insulating and superfluid particles show differentiation in momentum space as in the high-Tc cuprate superconductors.

cond-mat.quant-gas↗

arXiv2009

Ab-initio procedure for effective models of correlated materials with entangled band structure

We present a first-principles method for deriving effective low-energy models of electrons in solids having entangled band structure. The procedure starts with dividing the Hilbert space into two subspaces, the low-energy part ("$d$ space'') and the rest of the space ("$r$ space''). The low-energy model is constructed for the $d$ space by eliminating the degrees of freedom of the $r$ space. The thus derived model contains the strength of electron correlation expressed by a partially screened Coulomb interaction, calculated in the constrained random-phase-approximation (cRPA) where screening channels within the $d$ space, $P_d$, are subtracted. One conceptual problem of this established downfolding method is that for entangled bands it is not clear how to cut out the $d$ space and how to distinguish $P_d$ from the total polarization. Here, we propose a simple procedure to overcome this difficulty. In our scheme, the $d$ subspace is cut out from the Hilbert space of the Kohn Sham eigenfunctions with the help of a procedure to construct a localized Wannier basis. The $r$ subspace is constructed as the complementary space orthogonal to the $d$ subspace. After this disentanglement, $P_d$ becomes well defined. Using the disentangled bands, the effective parameters are uniquely determined in the cRPA. The method is successfully applied to 3$d$ transition metals.

cond-mat.str-el↗

arXiv2009

Single-particle excitations under coexisting electron correlation and disorder: a numerical study of the Anderson-Hubbard model

Interplay of electron correlation and randomness is studied by using the Anderson-Hubbard model within the Hartree-Fock approximation. Under the coexistence of short-range interaction and diagonal disorder, we obtain the ground-state phase diagram in three dimensions, which includes an antiferromagnetic insulator, an antiferromagnetic metal, a paramagnetic insulator (Anderson-localized insulator) and a paramagnetic metal. Although only the short-range interaction is present in this model, we find unconventional soft gaps in the insulating phases irrespective of electron filling, spatial dimensions and long-range order, where the single-particle density of states (DOS) vanishes with a power-law scaling in one dimension (1D) or even faster in two dimensions (2D) and three dimensions (3D) toward the Fermi energy. We call it soft Hubbard gap. Moreover, exact-diagonalization results in 1D support the formation of the soft Hubbard gap beyond the mean-field level. The formation of the soft Hubbard gap cannot be attributed to a conventional theory by Efros and Shklovskii (ES) owing the emergence of soft gaps to the long-range Coulomb interaction. Indeed, based on a picture of multivalley energy landscape, we propose a phenomenological scaling theory, which predicts a scaling of the DOS in perfect agreement with the numerical results. We further discuss a correction of the scaling of the DOS by the long-range part of the Coulomb interaction, which modifies the scaling of Efros and Shklovskii. Furthermore, explicit formulae for the temperature dependence of the DC resistivity via variable-range hopping under the influence of the soft gaps are derived. Finally, we compare the present theory with experimental results of SrRu_{1-x}Ti_xO_3.

cond-mat.str-el↗

arXiv2009

Spin Fluctuation Theory for Quantum Tricritical Point Arising in Proximity to First-Order Phase Transitions: Applications to Heavy-Fermion Systems, YbRh2Si2, CeRu2Si2, and beta-YbAlB4

We propose a phenomenological spin fluctuation theory for antiferromagnetic quantum tricritical point (QTCP), where the first-order phase transition changes into the continuous one at zero temperature. Under magnetic fields, ferromagnetic quantum critical fluctuations develop around the antiferromagnetic QTCP in addition to antiferromagnetic ones, which is in sharp contrast with the conventional antiferromagnetic quantum critical point. For itinerant electron systems,} we show that the temperature dependence of critical magnetic fluctuations around the QTCP are given as chiQ \propto T^{-3/2} (chi0\propto T^{-3/4}) at the antiferromagnetic ordering (ferromagnetic) wave number q=Q (q=0). The convex temperature dependence of chi0^{-1} is the characteristic feature of the QTCP, which is never seen in the conventional spin fluctuation theory. We propose that the general theory of quantum tricriticality that has nothing to do with the specific Kondo physics itself, solves puzzles of quantum criticalities widely observed in heavy-fermion systems such as YbRh2Si2, CeRu2Si2, and beta-YbAlB4. For YbRh2Si2, our theory successfully reproduces quantitative behaviors of the experimental ferromagnetic susceptibility and the magnetization curve by choosing the phenomenological parameters properly. The quantum tricriticality is also consistent with singularities of other physical properties such as specific heat, nuclear magnetic relaxation time 1/T_1T, and Hall coefficient. For CeRu2Si2 and beta-YbAlB4, we point out that the quantum tricriticality is a possible origin of the anomalous diverging enhancement of the uniform susceptibility observed in these materials.

cond-mat.str-el↗

arXiv2009

Reply to Comment on "Evolution of electronic structure of doped Mott insulator - reconstruction of poles and zeros of Green's function" [arXiv:0904.0454] by P. Phillips

In a recent Comment [arXiv:0904.0454] on our Letter [Phys. Rev. Lett. 102, 056404 (2009); arXiv:0809:0950], Phillips criticizes one specific issue discussed in our paper, concerning the spectral weight transfer, among our wide-ranging clarifications of the filling-control Mott transition. Here we show that all his criticisms have nothing to do with our contributions. Our nontrivial finding on this particular aspect is a very quick, non-linear increase in the spectral weight just above the chemical potential caused by tiny doping to the Mott insulator, which is indeed unprecedented in the literature. We call attention to its novelty in comparison with the perturbation theory, and reemphasize our picture for the quick weight transfer, that is, an avalanchine screening of doublon-holon binding energy.

cond-mat.str-el↗

arXiv2009

Ab initio Derivation of Low-Energy Model for $κ$-ET Type Organic Conductors

We derive effective Hubbard-type Hamiltonians of $κ$-(ET)$_2X$, using an {\em ab initio} downfolding technique, for the first time for organic conductors. They contain dispersions of the highest occupied Wannier-type molecular orbitals with the nearest neighbor transfer $t$$\sim$0.067 eV for a metal $X$=Cu(NCS)$_2$ and 0.055 eV for a Mott insulator $X$=Cu$_2$(CN)$_3$, as well as screened Coulomb interactions. It shows unexpected differences from the conventional extended Hückel results, especially much stronger onsite interaction $U$$\sim$0.8 eV ($U/t$$\sim$12-15) than the Hückel estimates ($U/t$$\sim$7-8) as well as an appreciable longer-ranged interaction. Reexamination on physics of this family of materials is required from this realistic basis.

cond-mat.str-el↗

arXiv2009

On Proximity of 4/7 Solid Phase of 3He Adsorbed on Graphite -Origin of Specific-Heat Anomalies in Hole-Doped Density-Ordered Solid-

We theoretically study the stability of the solidified second-layer 3He at 4/7 of the first-layer density adsorbed on graphite, which exhibits quantum spin liquid. We construct a lattice model for the second-layer 3He by taking account of density fluctuations on the third layer together by employing the refined configuration recently found by path integral Monte Carlo simulations. When holes are doped into the 4/7 solid, within the mean-field approximation, the density-ordered fluid emerges. The evolution of hole pockets offers a unified explanation for the measured doping and temperature dependences of specific-heat anomalies. We argue that differentiation in momentum space is a key to understanding the physics and accounts for multiscale thermodynamic anomalies in the mono- and double-layered 3He systems beyond the mean-field level.

cond-mat.str-el↗

arXiv2008

Comment on arXiv:0811.1575 entitled "Quantum phase transitions in the Hubbard model on triangular lattice" by T. Yoshioka, A. Koga and N. Kawakami

We show that the phase boundary between the paramagnetic metal and the nonmagnetic Mott insulator for the Hubbard model on a triangular lattice obtained by Yoshioka et al. in arXiv:0811.1575 does not correctly represent that of the thermodynamic limit but is an artifact of the 6 by 6 lattice they rely on. After the system size extrapolation, the phase boundary is located at U/t=5.2 as proposed by Morita et al., J. Phys. Soc. Jpn. 71 (2008) 2109 and in contrast to Yoshioka et al. Here, U is the onsite Coulomb repulsion and t is the nearest-neighbor transfer.

cond-mat.str-el↗

arXiv2008

Soft Hubbard gaps in disordered itinerant models with short-range interaction

We study the Anderson-Hubbard model in the Hartree-Fock approximation and the exact diagonalization under the coexistence of short-range interaction and diagonal disorder. We show that there exist unconventional soft gaps, where the single-particle (SP) density of states (DOS) $A$ follows a scaling in energy $E$ as $A(E)\propto \exp[-(-γ\log |E-E_F|)^d]$ irrespective of electron filling and long-range order. Here, $d$ is the spatial dimension, $E_F$ the Fermi energy and $γ$ a non-universal constant. We propose a multi-valley energy landscape as their origin. Possible experiments to verify the present theory are proposed.

cond-mat.str-el↗

arXiv2008

Variational Monte Carlo Method Combined with Quantum-Number Projection and Multi-Variable Optimization

Variational wave functions used in the variational Monte Carlo (VMC) method are extensively improved to overcome the biases coming from the assumed variational form of the wave functions. We construct a highly generalized variational form by introducing a large number of variational parameters to the Gutzwiller-Jastrow factor as well as to the one-body part. Moreover, the projection operator to restore the symmetry of the wave function is introduced. These improvements enable to treat fluctuations with long-ranged as well as short-ranged correlations. A highly generalized wave function is implemented by the Pfaffians introduced by Bouchaud et al., together with the stochastic reconfiguration method introduced by Sorella for the parameter optimization. Our framework offers much higher accuracy for strongly correlated electron systems than the conventional variational Monte Carlo methods.

cond-mat.str-el↗

arXiv2008

Evolution of electronic structure of doped Mott insulators - reconstruction of poles and zeros of Green's function

We study evolution of metals from Mott insulators in the carrier-doped 2D Hubbard model using a cluster extension of the dynamical mean-field theory. While the conventional metal is simply characterized by the Fermi surface (pole of the Green function G), interference of the zero surfaces of G with the pole surfaces becomes crucial in the doped Mott insulators. Mutually interfering pole and zero surfaces are dramatically transferred over the Mott gap, when lightly doped holes synergetically loosen the doublon-holon binding. The heart of the Mott physics such as the pseudogap, hole pockets, Fermi arcs, in-gap states, and Lifshitz transitions appears as natural consequences of this global interference in the frequency space.

cond-mat.str-el↗