arXiv subjects

Masatoshi Imada

Publications and source records attributed to Masatoshi Imada.

At least 73 records · Page 4Linked to original sources

arXiv2015

Nonequilibrium Pump-Probe Photoexcitation as a Tool for Analyzing Unoccupied Equilibrium States of Correlated Electrons

Relaxation of electrons in a Hubbard model coupled to a dissipative bosonic bath is studied to simulate the pump-probe photoemission measurement. From this insight, we propose an experimental method of eliciting unoccupied part of the single-particle spectra at the equilibrium of doped-Mott insulators. We reveal first that effective temperatures of distribution functions and electronic spectra are different during the relaxation, which makes the frequently employed thermalization picture inappropriate. Contrary to the conventional analysis, we show that the unoccupied spectra at equilibrium can be detected as the states that relax faster.

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arXiv2015

Ab initio Studies of Magnetism in the Iron Chalcogenides FeTe and FeSe

The iron chalcogenides FeTe and FeSe belong to the family of iron-based superconductors. We study the magnetism in these compounds in the normal state using the ab initio downfolding scheme developed for strongly correlated electron systems. In deriving ab initio low-energy effective models, we employ the constrained GW method to eliminate the double counting of electron correlations originating from the exchange correlations already taken into account in the density functional theory. By solving the derived ab initio effective models, we reveal that the elimination of the double counting is important in reproducing the bicollinear antiferromagnetic order in FeTe, as is observed in experiments. We also show that the elimination of the double counting induces a unique degeneracy of several magnetic orders in FeSe, which may explain the absence of the magnetic ordering. We discuss the relationship between the degeneracy and the recently found puzzling phenomena in FeSe as well as the magnetic ordering found under pressure.

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arXiv2015

Hidden fermionic excitation in the superconductivity of the strongly attractive Hubbard model

We scrutinize the real-frequency structure of the self-energy in the superconducting state of the attractive Hubbard model within the dynamical mean-field theory. Within the strong-coupling superconducting phase which has been understood in terms of the Bose-Einstein condensation in the literature, we find two qualitatively different regions crossing over each other. In one region close to zero temperature, the self-energy depends on the frequency only weakly at low energy. On the other hand, in the region close to the critical temperature, the self-energy shows a pole structure. The latter region becomes more dominant as the interaction becomes stronger. We reveal that the self-energy pole in the latter region is generated by a coupling to a hidden fermionic excitation. The hidden fermion persists in the normal state, where it yields a pseudogap. We compare these properties with those of the repulsive Hubbard model relevant for high-temperature cuprate superconductors, showing that hidden fermions are a key common ingredient in strongly correlated superconductivity.

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arXiv2015

Modulated Helical Metals at Magnetic Domain Walls of Pyrochlore Iridium Oxides

Spontaneous symmetry breakings, metal-insulator transitions, and transport properties of magnetic-domain-wall states in pyrochlore iridium oxides are studied by employing a symmetry adapted effective hamiltonian with a slab perpendicular to the (111) direction of the pyrochlore lattice. Emergent metallic domain wall, which has unconventional topological nature with a controllable and mobile metallic layer, is shown to host Fermi surfaces with modulated helical spin textures resembling Rashba metals. The helical nature of the domain-wall Fermi surfaces is experimentally detectable by anomalous Hall conductivity, circular dichroism, and optical Hall conductivity under external magnetic fields. Possible applications of the domain-wall metals to spin-current generation and "half-metallic" conduction are also discussed.

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arXiv2015

Exciton Lifetime Paradoxically Enhanced by Dissipation and Decoherence - Toward Efficient Energy Conversion of Solar Cell

Energy dissipation and decoherence are at first glance harmful to acquiring long exciton lifetime desired for efficient photovoltaics. In the presence of both optically forbidden (namely, dark) and allowed (bright) excitons, however, they can be instrumental as suggested in photosynthesis. By simulating quantum dynamics of exciton relaxations, we show that the optimized decoherence that imposes a quantum-to-classical crossover with the dissipation realizes a dramatically longer lifetime. In an example of carbon nanotube, the exciton lifetime increases by nearly two orders of magnitude when the crossover triggers stable high population in the dark exciton.

cond-mat.mes-hall↗

arXiv2015

Quantum Spin Liquid in Spin 1/2 J1-J2 Heisenberg Model on Square Lattice: Many-Variable Variational Monte Carlo Study Combined with Quantum-Number Projections

The nature of quantum spin liquids is studied for the spin-$1/2$ antiferromagnetic Heisenberg model on a square lattice containing exchange interactions between nearest-neighbor sites, $J_1$, and those between next-nearest-neighbor sites, $J_2$. We perform variational Monte Carlo simulations together with the quantum-number-projection technique and clarify the phase diagram in the ground state together with its excitation spectra. We obtain the nonmagnetic phase in the region $0.4< J_2/J_1\le 0.6$ sandwiched by the staggered and stripe antiferromagnetic (AF) phases. Our direct calculations of the spin gap support the notion that the triplet excitation from the singlet ground state is gapless in the range of $0.4 < J_2/J_1 \le 0.5$, while the gapped valence-bond-crystal (VBC) phase is stabilized for $0.5 < J_2/J_1 \le 0.6$. The VBC order is likely to have the columnar symmetry with a spontaneous symmetry breaking of the $C_{4v}$ symmetry. The power-law behaviors of the spin-spin and dimer-dimer correlation functions in the gapless region are consistent with the emergence of the algebraic quantum-spin-liquid phase (critical phase). The exponent of the spin correlation $\langle S(0)S(r)\rangle \propto 1/r^{z+η}$ at a long distance $r$ appears to increase from $z+η\sim 1$ at $J_2/J_1\sim0.4$ toward the continuous transition to the VBC phase at $J_1/J_1\sim0.5$. Our results, however, do not fully exclude the possibility of a direct quantum transition between the staggered AF and VBC phases with a wide critical region and deconfined criticality.

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arXiv2014

Evidence for hidden fermion that triggers high-temperature superconductivity in cuprates

In superconductors, electrons bound into Cooper pairs conduct a dissipationless current. The strength of the Cooper pairs scales with the value of the critical transition temperature (Tc). In cuprate high-Tc superconductors, however, the pairing mechanism is still unexplained. Here we unveil why in the cuprates the Cooper pairs are so strongly bound to work out the extraordinary high Tc. From one-to-one correspondence between numerical simulation on a microscopic cuprate model and a simple two-component fermion model, we show that hidden fermions emerge from the strong electron correlation and give birth to the strongly bound Cooper pairs. This mechanism is distinct from a conventional pairing mediated by some bosonic glue, such as phonons in conventional superconductors. The hidden fermions survive even above Tc and generate the strange-metal pseudogap phase. This reveals an unprecedented direct relationship between the pseudogap phase and superconductivity in the cuprates.

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arXiv2014

Origin of high-Tc superconductivity in doped Hubbard models and their extensions: Roles of uniform charge fluctuations

Doped Hubbard model is a simple model for the high-Tc cuprate superconductors, while its ground state remains a challenge. Here, by performing state-of-the-art variational Monte Carlo calculations for the strong-coupling Hubbard model, we find evidences that the d-wave superconducting phase emerges always near the phase separation region and the superconducting order has one-to-one correspondence with the enhancement of charge compressibility. The order as well as the phase separation are vulnerable to realistic intersite Coulomb interaction while the superexchange interaction enhances both. An appropriate combination of these two widens the stable superconducting phase.

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arXiv2014

Superconductivity and its mechanism in an ab initio model for electron-doped LaFeAsO

Two families of high temperature superconductors whose critical temperatures are higher than 50K are known. One is the copper oxides and the other is the iron-based superconductors. Comparisons of mechanisms between these two in terms of common ground as well as distinctions will greatly help in searching for higher Tc superconductors. However, studies on mechanisms for the iron family based on first principles calculations are few. Here we first show that the superconductivity emerges in the state-of-the-art numerical calculations for an ab initio multi-orbital model of an electron-doped iron-based superconductor LaFeAsO, in accordance with experimental observations. Then the mechanism of the superconductivity is identified as enhanced uniform density fluctuations by one-to-one correspondence with the instability toward inhomogeneity driven by first-order antiferromagnetic and nematic transitions. Despite many differences, certain common features with the copper oxides are also figured out in terms of the underlying orbital selective Mottness found in the iron family.

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arXiv2014

First-Principles Study of the Honeycomb-Lattice Iridates Na2IrO3 in the Presence of Strong Spin-Orbit Interaction and Electron Correlations

An effective low-energy Hamiltonian of itinerant electrons for iridium oxide Na2IrO3 is derived by an ab initio downfolding scheme. The model is then reduced to an effective spin model on a honeycomb lattice by the strong coupling expansion. Here we show that the ab initio model contains spin-spin anisotropic exchange terms in addition to the extensively studied Kitaev and Heisenberg exchange interactions, and allows to describe the experimentally observed zigzag magnetic order, interpreted as the state stabilized by the antiferromagnetic coupling of the ferromagnetic chains. We clarify possible routes to realize quantum spin liquids from existing Na2IrO3.

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arXiv2014

Universal departure from Johnson-Nyquist relation caused by limited resolution

Exploiting the two-point measurement statistics, we propose a quantum measurement scheme of current with limited resolution of electron counting. Our scheme is equivalent to the full counting statistics in the long-time measurement with the ideal resolution, but is theoretically extended to take into account the resolution limit of actual measurement devices. Applying our scheme to a resonant level model, we show that the limited resolution of current measurement gives rise to a positive excess noise, which leads to a deviation from the Johnson-Nyquist relation. The deviation exhibits universal single-parameter scaling with the scaling variable $Q\equiv S_{\rm{}M}/S_0$, which represents the degree of the insufficiency of the resolution. Here, $S_0$ is the intrinsic noise, and $S_{\rm{}M}$ is the positive quantity that has the same dimension as $S_0$ and is defined solely by the measurement scheme. For the lack of the ideal resolution, the deviation emerges for $Q<1$ as $2\exp[-(2π)^2/Q]$ having an essential singularity at $Q=0$, which followed by the square root dependence $\sqrt{Q/4π}$ for $Q\gg1$. Our findings offer an explanation for the anomalous enhancement of noise temperature observed in Johnson noise thermometry.

cond-mat.mes-hall↗

arXiv2014

Electron Correlation Effects on Topological Phases

Topological insulators are found in materials that have elements with strong spin orbit interaction. However, electron Coulomb repulsion also potentially generates the topological insulators as well as Chern insulators by the mechanism of spontaneous symmetry breaking, which is called topological Mott insulators. The quantum criticality of the transition to the topological Mott insulators from zero-gap semiconductors follows unconventional universality distinct from the Landau-Ginzburg-Wilson scenario. On the pyrochlore lattice, the interplay of the electron correlation and the spin orbit interaction provides us in a rich phase diagram not only with simple topological insulators but also with Weyl semimetal and topologically distinct antiferromagnetic phases. Magnetic domain wall of the all-in-all-out type antiferromagnetic order offers a promising candidate of magnetically controlled transport, because, even when the Weyl points disappears, the domain wall maintains robust gapless excitations with Fermi surfaces around it embedded in the bulk insulator and bears uniform magnetization simultaneously. The ingap state is protected by a mechanism similar to the solitons in polyacetylene. Puzzling experimental results of pyrochlore iridates are favorably compared with the prediction of the domain wall theory.

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arXiv2014

Variational Monte Carlo Method for Electron-Phonon Coupled Systems

We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to electron-phonon coupled systems have been severely restricted because of its large Hilbert space. Here, we propose a variational wave function with a large number of variational parameters which is suitable and tractable for systems with electron-phonon coupling. In the proposed wave function, we implement an unexplored electron-phonon correlation factor which takes into account the effect of the entanglement between electrons and phonons. The method is applied to systems with diagonal electron-phonon interactions, i.e. interactions between charge densities and lattice displacements (phonons). As benchmarks, we compare VMC results with previous results obtained by the exact diagonalization, the Green function Monte Carlo and the density matrix renormalization group for the Holstein and Holstein-Hubbard model. From these benchmarks, we show that the present method offers an efficient way to treat strongly coupled electron-phonon systems.

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arXiv2014

Metallic Interface Emerging at Magnetic Domain Wall of Antiferromagnetic Insulator---Fate of Extinct Weyl Electrons

Topological insulators, in contrast to ordinary semiconductors, accompany protected metallic surfaces described by Dirac-type fermions. Here, we theoretically show another emergent two-dimensional metal embedded in the bulk insulator is realized at a magnetic domain wall. The domain wall has long been studied as ingredients of both old-fashioned and leading-edge spintronics. The domain wall here, as an interface of seemingly trivial antiferromagnetic insulators, emergently realizes a functional interface preserved by zero modes with robust two-dimensional Fermi surfaces, where pyrochlore iridium oxides proposed to host condensed-matter realization of Weyl fermions offer such examples at low temperatures. The existence of ingap states pinned at domain walls, theoretically resembling spin/charge solitons in polyacetylene, and protected as the edge of hidden one-dimensional weak Chern insulators characterized by a zero-dimensional class A topological invariant, solves experimental puzzles observed in R2Ir2O7 with rare earth elements R. The domain wall realizes a novel quantum confinement of electrons and embosses a net uniform magnetization, which enables magnetic control of electronic interface transports beyond semiconductor paradigm.

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arXiv2013

Quantum Monte Carlo Simulations for Stacked Spin Ladder Systems Containing Low Concentrations of Non-Magnetic Impurities; Application to the Low Temperature Broadening of NMR-Spectra in SrCu2O3

We present a Quantum Monte Carlo study for Heisenberg spin-1/2 two leg ladder systems doped with non magnetic impurities. The simulations are applied to the doped spin ladder compound SrCu2O3 doped with Zn, where a large broadening of the 65Cu NMR lines has been observed in experiment at low temperatures but far above the Neel temperature. We find that interladder-couplings with a sizeable coupling in stacking direction are required to describe the line broadening, which can not be explained by considering a single ladder only. Around a single impurity, spin correlations cause an exponentially decaying antiferromagnetic local magnetization in a magnetic field. We develop an effective model for the local magnetization of systems with many randomly distributed impurities, with few parameters which can be extracted out of QMC calculations with a single impurity. The broadening arises from a drag effect, where the magnetization around an impurity works as an effective field for spins on the neighboring ladders, causing a non-exponentially decaying magnetization cloud around the impurity. Our results show that even for impurity concentrations as small as x = 0.001 and x = 0.0025, the broadening effect is large, in good quantitative agreement with experiment. We also develop a simple model for the effective interaction of two impurity spins.

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arXiv2013

Phase Diagram Structure of Topological Mott Transition for Zero-gap Semiconductors beyond Conventional Landau-Ginzburg-Wilson Scenario

We show that a wide class of unconventional quantum criticality emerges when orbital currents cause quantum phase transitions from zero-gap semiconductors such as Dirac fermions to topological insulator (TI) or Chern insulator (CI). Changes in Fermi surface topology concomitant with (SU(2) or time reversal) symmetry breakings generate quantum critical lines (QCL) even beyond the quantum critical point. This QCL running at temperature $T=0$ separates two distinct topological phases. This is in contrast to the simple termination of the finite temperature critical line at the quantum critical point without any extension of it at $T=0$. Topology change causes the unconventionality beyond the concept of simple spontaneous symmetry breaking assumed in the conventional Landau-Ginzburg-Wilson (LGW) scenario. The unconventional universality implied by mean-field critical exponents beta>1/2 and delta<3 is protected by the existence of the quantum critical line. It emerges for several specific lattice models including the honeycomb, kagome, diamond and pyrochlore lattices. We also clarify phase diagrams of the topological phases in these lattices at finite temperatures.

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arXiv2013

Microscopic and Spectroscopic Evidence for a Slater Metal-Insulator Transition in Sr2IrO4

Layered 5d transition metal oxides (TMOs) have attracted significant interest in recent years because of the rich physical properties induced by the interplay between spin-orbit coupling, bandwidth and on-site Coulomb repulsion. In Sr2IrO4, this interplay opens a gap near the Fermi energy and stabilizes a Jeff=1/2 spin-orbital entangled insulating state at low temperatures. Whether this metal-insulating transition (MIT) is Mott-type (electronic-correlation driven) or Slater-type (magnetic-order driven) has been under intense debate. We address this issue via spatially resolved imaging and spectroscopic studies of the Sr2IrO4 surface using scanning tunneling microscopy/spectroscopy (STM/S). The STS results clearly illustrate the opening of the (~150-250 meV) insulating gap at low temperatures, in qualitative agreement with our density-functional theory (DFT) calculations. More importantly, the measured temperature dependence of the gap width coupled with our DFT+dynamical mean field theory (DMFT) results strongly support the Slater-type MIT scenario in Sr2IrO4. The STS data further reveal a pseudogap structure above the Neel temperature, presumably related to the presence of antiferromagnetic fluctuations.

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arXiv2013

Improved Multi-Variable Variational Monte Carlo Method Examined by High-Precision Calculations of One-Dimensional Hubbard Model

We revisit the accuracy of the variational Monte Carlo (VMC) method by taking an example of ground state properties for the one-dimensional Hubbard model. We start from the variational wave functions with the Gutzwiller and long-range Jastrow factor introduced by Capello et al. [Phys. Rev. B 72, 085121 (2005)] and further improve it by considering several quantum-number projections and a generalized one-body wave function. We find that the quantum spin projection and total momentum projection greatly improve the accuracy of the ground state energy within 0.5% error, for both small and large systems at half filling. Besides, the momentum distribution function n(k) at quarter filling calculated up to 196 sites allows us direct estimate of the critical exponents of the charge correlations from the power-law behavior of n(k) near the Fermi wave vector. Estimated critical exponents well reproduce those predicted by the Tomonaga-Luttinger theory.

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