arXiv subjects

Kazuhiro Seki

Publications and source records attributed to Kazuhiro Seki.

49 records · Page 3Linked to original sources

arXiv2018

Solution of the "sign problem" for the half filled Hubbard-Holstein model

We show that, by an appropriate choice of auxiliary fields and exact integration of the phonon degrees of freedom, it is possible to define a 'sign-free' path integral for the so called Hubbard-Holstein model at half-filling. We use a statistical method, based on an accelerated and efficient Langevin dynamics, for evaluating all relevant correlation functions of the model. Preliminary calculations at $U/t=4$ and $U/t=1$, for $ω_0/t=1$, indicate a quite extended region around $U \simeq {g^2 \over ω_0}$ without either antiferromagnetic or charge-density-wave orders, separating two quantum critical points at zero temperature. The elimination of the sign problem in a model without explicit particle-hole symmetry may open new perspectives for strongly correlated models, even away from the purely attractive or particle-hole symmetric cases.

cond-mat.str-el↗

arXiv2018

Correlation-Driven Dimerization and Topological Gap Opening in Isotropically Strained Graphene

The phase diagram of isotropically expanded graphene cannot be correctly predicted by ignoring either electron correlations, or mobile carbons, or the effect of applied stress, as was done so far. We calculate the ground state enthalpy (not just energy) of strained graphene by an accurate off-lattice Quantum Monte Carlo (QMC) correlated ansatz of great variational flexibility. Following undistorted semimetallic graphene (SEM) at low strain, multi-determinant Heitler-London correlations stabilize between $\simeq$8.5% and $\simeq$15% strain an insulating Kekule-like dimerized (DIM) state. Closer to a crystallized resonating-valence bond than to a Peierls state, the DIM state prevails over the competing antiferromagnetic insulating (AFI) state favored by density-functional calculations which we conduct in parallel. The DIM stressed graphene insulator, whose gap is predicted to grow in excess of 1 eV before failure near 15% strain, is topological in nature, implying under certain conditions 1D metallic interface states lying in the bulk energy gap.

cond-mat.mtrl-sci↗

arXiv2018

Quantum criticality in the metal-superconductor transition of interacting Dirac fermions on a triangular lattice

We investigate a semimetal-superconductor phase transition of two-dimensional Dirac electrons at zero temperature by large-scale and essentially unbiased quantum Monte Carlo simulations for the half-filled attractive Hubbard model on the triangular lattice, in the presence of alternating magnetic $π$-flux, that is introduced to construct two Dirac points in the one-particle bands at the Fermi level. This phase transition is expected to describe quantum criticality of the chiral XY class in the framework of the Gross-Neveu model, where, in the ordered phase, the $U(1)$ symmetry is spontaneously broken and a mass gap opens in the excitation spectrum. We compute the order parameter of the s-wave superconductivity and estimate the quasiparticle weight from the long-distance behavior of the single-particle Green's function. These calculations allow us to obtain the critical exponents of this transition in a reliable and accurate way. Our estimate for the critical exponents is in good agreement with those obtained for a transition to a Kekulé valence bond solid, where an emergent $U(1)$ symmetry is proposed [Z.-X. Li et al., Nat. Commun. 8, 314 (2017)].

cond-mat.str-el↗

arXiv2018

Study of the superconducting order parameter in the negative-$U$ 2D-Hubbard model by grand-canonical twist-averaged boundary conditions

By using variational Monte Carlo and auxiliary-field quantum Monte Carlo methods, we perform an accurate finite-size scaling of the $s$-wave superconducting order parameter and the pairing correlations for the negative-$U$ Hubbard model at zero temperature in the square lattice. We show that the twist-averaged boundary conditions (TABCs) are extremely important to control finite-size effects and to achieve smooth and accurate extrapolations to the thermodynamic limit. We also show that TABCs is much more efficient in the grand-canonical ensemble rather than in the standard canonical ensemble with fixed number of electrons. The superconducting order parameter as a function of the doping is presented for several values of $|U|/t$ and is found to be significantly smaller than the mean-field BCS estimate already for moderate couplings. This reduction is understood by a variational ansatz able to describe the low-energy behaviour of the superconducting phase, by means of a suitably chosen Jastrow factor including long-range density-density correlations.

cond-mat.str-el↗

arXiv2017

Semantic Web Today: From Oil Rigs to Panama Papers

The next leap on the internet has already started as Semantic Web. At its core, Semantic Web transforms the document oriented web to a data oriented web enriched with semantics embedded as metadata. This change in perspective towards the web offers numerous benefits for vast amount of data intensive industries that are bound to the web and its related applications. The industries are diverse as they range from Oil & Gas exploration to the investigative journalism, and everything in between. This paper discusses eight different industries which currently reap the benefits of Semantic Web. The paper also offers a future outlook into Semantic Web applications and discusses the areas in which Semantic Web would play a key role in the future.

cs.AI↗

arXiv2017

Topological interpretation of Luttinger theorem

Based solely on the analytical properties of the single-particle Green's function of fermions at finite temperatures, we show that the generalized Luttinger theorem inherently possesses topological aspects. The topological interpretation of the generalized Luttinger theorem can be introduced because i) the Luttinger volume is represented as the winding number of the single-particle Green's function and thus ii) the deviation of the theorem, expressed with a ratio between the interacting and noninteracting single-particle Green's functions, is also represented as the winding number of this ratio. The formulation based on the winding number naturally leads to two types of the generalized Luttinger theorem. Exploring two examples of single-band translationally invariant interacting electrons, i.e., simple metal and Mott insulator, we show that the first type falls into the original statement for Fermi liquids given by Luttinger, while the second type corresponds to the extended one for non metallic cases with no Fermi surface generalized by Dzyaloshinskii. This formulation also allows us to derive a sufficient condition for the validity of the Luttinger theorem of the first type by applying the Rouche's theorem in complex analysis as an inequality. Moreover, we can rigorously prove in a non-perturbative manner, without assuming any detail of a microscopic Hamiltonian, that the generalized Luttinger theorem of both types is valid for generic interacting fermions as long as the particle-hole symmetry is preserved. Finally, we show that the winding number of the single-particle Green's function can also be associated with the distribution function of quasiparticles, and therefore the number of quasiparticles is equal to the Luttinger volume.

cond-mat.str-el↗

arXiv2016

Electron-hole doping asymmetry of Fermi surface reconstructed in a simple Mott insulator

It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high $T_{\rm c}$ cuprates. The doping effect, including the electron-hole doping asymmetry, may be more straightforward in doped organic Mott insulators owing to their simple electronic structures. Here we investigate the doping asymmetry of an organic Mott insulator by carrying out electric-double-layer transistor measurements and using cluster perturbation theory. The calculations predict that strongly anisotropic suppression of the spectral weight results in the Fermi arc state under hole doping, while a relatively uniform spectral weight results in the emergence of a non-interacting-like Fermi surface in the electron-doped state. In accordance with the calculations, the experimentally observed Hall coefficients and resistivity anisotropy correspond to the pocket formed by the Fermi arcs under hole doping and to the non-interacting Fermi surface under electron doping.

cond-mat.str-el↗

arXiv2016

Brillouin-zone integration scheme for many-body density of states: Tetrahedron method combined with cluster perturbation theory

By combining the tetrahedron method with the cluster perturbation theory (CPT), we present an accurate method to numerically calculate the density of states of interacting fermions without introducing the Lorentzian broadening parameter $η$ or the numerical extrapolation of $η\to 0$. The method is conceptually based on the notion of the effective single-particle Hamiltonian which can be subtracted in the Lehmann representation of the single-particle Green's function within the CPT. Indeed, we show the general correspondence between the self-energy and the effective single-particle Hamiltonian which describes exactly the single-particle excitation energies of interacting fermions. The detailed formalism is provided for two-dimensional multi-orbital systems and a benchmark calculation is performed for the two-dimensional single-band Hubbard model. The method can be adapted straightforwardly to symmetry broken states, three-dimensional systems, and finite-temperature calculations.

cond-mat.str-el↗

arXiv2016

Emergence of massless Dirac quasiparticles in correlated hydrogenated graphene with broken sublattice symmetry

Using the variational cluster approximation (VCA) and the cluster perturbation theory, we study the finite temperature phase diagram of a half-depleted periodic Anderson model on the honeycomb lattice at half filling for a model of graphone, i.e., single-side hydrogenated graphene. The ground state of this model is found to be ferromagnetic (FM) semi-metal. The spin wave dispersion in the FM state is linear in momentum at zero temperature but becomes quadratic at finite temperatures, implying that the FM state is fragile against thermal fluctuations. Indeed, our VCA calculations find that the paramagnetic (PM) state dominates the finite temperature phase diagram. More surprisingly, we find that massless Dirac quasiparticles with the linear energy dispersion emerge at the Fermi energy upon introducing the electron correlation $U$ at the impurity sites in the PM phase. The Dirac Fermi velocity is found to be highly correlated to the quasiparticle weight of the emergent massless Dirac quasiparticles at the Fermi energy and monotonically increases with $U$. These unexpected massless Dirac quasiparticles are also examined with the Hubbard-I approximation and the origin is discussed in terms of the spectral weight redistribution involving a large energy scale of $U$. Considering an effective quasiparticle Hamiltonian which reproduces the single-particle excitations obtained by the Hubbard-I approximation, we argue that the massless Dirac quasiparticles are protected by the electron correlation. Our finding is therefore the first example of the emergence of massless Dirac quasiparticles due to dynamical electron correlations without breaking any spatial symmetry. The experimental implications of our results for graphone as well as a graphene sheet on transition metal substrates are also briefly discussed.

cond-mat.str-el↗

arXiv2016

Slave rotor theory of the Mott transition in the Hubbard model: a new mean field theory and a new variational wave function

A new mean field theory is proposed for the Mott transition in the Hubbard model based on the slave rotor representation of the electron operator. This theory provides a better description of the role of the long range charge correlation in the Mott insulating state and offers a good estimation of the critical correlation strength for the Mott transition. We have constructed a new variational wave function for the Mott insulating state based on this new slave rotor mean field theory. We find this new variational wave function outperforms the conventional Jastrow type wave function with long range charge correlator in the Mott insulating state. It predicts a continuous Mott transition with non-divergent quasiparticle mass at the transition point. We also show that the commonly used on-site mean field decoupling for the slave rotor corresponds to the Gutzwiller approximation for the Gutzwiller projected wave function with only on-site charge correlator, which can not describe the Mott transition in any finite dimensional system.

cond-mat.str-el↗

arXiv2015

Charge-density wave induced by combined electron-electron and electron-phonon interactions in 1$T$-TiSe$_2$: A variational Monte Carlo study

To clarify the origin of a charge-density wave (CDW) phase in 1$T$-TiSe$_2$, we study the ground state property of a half-filled two-band Hubbard model in a triangular lattice including electron-phonon interaction. By using the variational Monte Carlo method, the electronic and lattice degrees of freedom are both treated quantum mechanically on an equal footing beyond the mean-field approximation. We find that the cooperation between Coulomb interaction and electron-phonon interaction is essential to induce the CDW phase. We show that the "pure" exciton condensation without lattice distortion is difficult to realize under the poor nesting condition of the underlying Fermi surface. Furthermore, by systematically calculating the momentum resolved hybridization between the two bands, we examine the character of electron-hole pairing from the viewpoint of BCS-BEC crossover within the CDW phase and find that the strong-coupling BEC-like pairing dominates. We therefore propose that the CDW phase observed in 1$T$-TiSe$_2$ originates from a BEC-like electron-hole pairing.

cond-mat.str-el↗

arXiv2015

A variational Monte Carlo study of exciton condensation

Exciton condensation in a two-band Hubbard model on a square lattice is studied with variational Monte Carlo method. We show that the phase transition from an excitonic insulator to a band insulator is induced by increasing the interband Coulomb interaction. To examine the character of the exciton condensation, the exciton pair amplitudes both in $\bm{k}$-space and in real space are calculated. Using these quantities, we discuss the BCS-BEC crossover within the excitonic insulator phase.

cond-mat.str-el↗

arXiv2002

A Probabilistic Method for Analyzing Japanese Anaphora Integrating Zero Pronoun Detection and Resolution

This paper proposes a method to analyze Japanese anaphora, in which zero pronouns (omitted obligatory cases) are used to refer to preceding entities (antecedents). Unlike the case of general coreference resolution, zero pronouns have to be detected prior to resolution because they are not expressed in discourse. Our method integrates two probability parameters to perform zero pronoun detection and resolution in a single framework. The first parameter quantifies the degree to which a given case is a zero pronoun. The second parameter quantifies the degree to which a given entity is the antecedent for a detected zero pronoun. To compute these parameters efficiently, we use corpora with/without annotations of anaphoric relations. We show the effectiveness of our method by way of experiments.

cs.CL↗