arXiv subjects

Shiro Sakai

Publications and source records attributed to Shiro Sakai.

At least 37 records · Page 2Linked to original sources

arXiv2023

Unveiling phase diagram of the lightly doped high-Tc cuprate superconductors with disorder removed

The currently established electronic phase diagram of cuprates is based on a study of single- and double-layered compounds. These CuO$_2$ planes, however, are directly contacted with dopant layers, thus inevitably disordered with an inhomogeneous electronic state. Here, we solve this issue by investigating a 6-layered Ba$_2$Ca$_5$Cu$_6$O$_{12}$(F,O)$_2$ with inner CuO$_2$ layers, which are clean with the extremely low disorder, by angle-resolved photoemission spectroscopy (ARPES) and quantum oscillation measurements. We find a tiny Fermi pocket with a doping level less than 1% to exhibit well-defined quasiparticle peaks which surprisingly lack the polaronic feature. This provides the first evidence that the slightest amount of carriers is enough to turn a Mott insulating state into a metallic state with long-lived quasiparticles. By tuning hole carriers, we also find an unexpected phase transition from the superconducting to metallic states at 4%. Our results are distinct from the nodal liquid state with polaronic features proposed as an anomaly of the heavily underdoped cuprates.

cond-mat.supr-con↗

arXiv2023

Emergent zero-field anomalous Hall effect in a reconstructedrutileantiferromagnetic metal

Anomalous Hall effect (AHE) emerged in antiferromagnetic metals shows intriguing physics and application potential. In contrast to certain noncollinear antiferromagnets, rutile RuO$_2$ has been proposed recently to exhibit a crystal-assisted AHE with collinear antiferromagnetism. However, in RuO$_2$, the on-site magnetic moment accompanying itinerant 4d electrons is quite small, and more importantly, the AHE at zero external field is prohibited by symmetry because of the high-symmetry [001] direction of the Néel vector. Here, we show the AHE at zero field in the collinear antiferromagnet, Cr-doped RuO$_2$. The appropriate doping of Cr at Ru sites results in a rotation of the Néel vector from [001] to [110] and enhancement of the on-site magnetic moment by one order of magnitude while maintaining a metallic state with the collinear antiferromagnetism. The AHE with vanishing net moment in the Ru$_{0.8}$Cr$_{0.2}$O$_2$ exhibits an orientation dependence consistent with the [110]-oriented Néel vector. These results open a new avenue to manipulate AHE in antiferromagnetic metals.

cond-mat.mtrl-sci↗

arXiv2023

Dynamical mean-field theory for the Hubbard-Holstein model on a quantum device

Recent developments in quantum hardware and quantum algorithms have made it possible to utilize the capabilities of current noisy intermediate-scale quantum devices for addressing problems in quantum chemistry and condensed matter physics. Here we report a demonstration of solving the dynamical mean-field theory (DMFT) impurity problem for the Hubbard-Holstein model on the IBM 27-qubit Quantum Falcon Processor Kawasaki, including self-consistency of the DMFT equations. This opens up the possibility to investigate strongly correlated electron systems coupled to bosonic degrees of freedom and impurity problems with frequency-dependent interactions. The problem involves both fermionic and bosonic degrees of freedom to be encoded on the quantum device, which we solve using a recently proposed Krylov variational quantum algorithm to obtain the impurity Green's function. We find the resulting spectral function to be in good agreement with the exact result, exhibiting both correlation and plasmonic satellites and significantly surpassing the accuracy of standard Trotter-expansion approaches. Our results provide an essential building block to study electronic correlations and plasmonic excitations on future quantum computers with modern ab initio techniques.

quant-ph↗

arXiv2022

Quantum phase transition between hyperuniform density distributions

We study an electron distribution under a quasiperiodic potential in light of hyperuniformity, aiming to establish a classification and analysis method for aperiodic but orderly density distributions realized in, e.g., quasicrystals. Using the Aubry-Andre-Harper model, we first reveal that the electron-charge distribution changes its character as the increased quasiperiodic potential alters the eigenstates from extended to localized ones. While these changes of the charge distribution are characterized by neither multifractality nor translational-symmetry breaking, they are characterized by hyperuniformity class and its order metric. We find a nontrivial relationship between the density of states at the Fermi level, a charge-distribution histogram, and the hyperuniformity class. The change to a different hyperuniformity class occurs as a first-order phase transition except for an electron-hole symmetric point, where the transition is of the third order. Moreover, we generalize the hyperuniformity order metric to a function, to capture more detailed features of the density distribution, in some analogy with a generalization of the fractal dimension to a multifractal one.

cond-mat.str-el↗

arXiv2022

Fermi surface expansion above critical temperature in a Hund ferromagnet

Using a cluster extension of the dynamical mean-field theory, we show that strongly correlated metals subject to Hund's physics exhibit significant electronic structure modulations above magnetic transition temperatures. In particular, in a ferromagnet having a large local moment due to Hund's coupling (Hund's ferromagnet), the Fermi surface expands even above the Curie temperature ($T_{\rm C}$) as if a spin polarization occurred. Behind this phenomenon, effective ``Hund's physics'' works in momentum space, originating from ferromagnetic fluctuations in the strong coupling regime. The resulting significantly momentum-dependent (spatially nonlocal) electron correlations induce an electronic structure reconstruction involving a Fermi-surface volume change and a redistribution of the momentum-space occupation. Our finding will give a deeper insight into the physics of Hund's ferromagnets above $T_{\rm C}$.

cond-mat.str-el↗

arXiv2022

Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

The magnetic ground states of $R_2$Ru$_2$O$_7$ and $A_2$Ru$_2$O$_7$ with $R=$ Pr, Gd, Ho, and Er, as well as $A=$ Ca, Cd are predicted devising a combination of the cluster-multipole (CMP) theory and spin-density-functional theory (SDFT). The strong electronic correlation effects are estimated by the constrained-random-phase approximation (cRPA) and taken into account within the dynamical-mean-field theory (DMFT). The target compounds feature $d$-orbital magnetism on Ru$^{4+}$ and Ru$^{5+}$ ions for $R$ and $A$, respectively, as well as $f$-orbital magnetism on the $R$ site, which leads to an intriguing interplay of magnetic interactions in a strongly correlated system. We find CMP+SDFT is capable of describing the magnetic ground states in these compounds. The cRPA captures a difference in the screening strength between $R_2$Ru$_2$O$_7$ and $A_2$Ru$_2$O$_7$ compounds, which leads to a qualitative and quantitative understanding of the electronic properties within DMFT.

cond-mat.str-el↗

arXiv2022

Hyperuniform electron distributions controlled by electron interactions in quasicrystal

We study how the electron-electron interactions influence the charge distributions in the metallic state of quasicrystals. As a simple theoretical model, we introduce an extended Hubbard model on the Penrose lattice, and numerically solve the model (up to $\sim1.4$ million sites) within the Hartree-Fock approximation. Because each site on the quasiperiodic lattice has a different local geometry, the Coulomb interaction, in particular the intersite one, works in a site-dependent way, leading to a nontrivial redistribution of the charge. The resultant charge distribution patterns are not multifractal but characterized by hyperuniformity, which offers a measure to distinguish various inhomogeneous but ordered distributions. We clarify how the electron interactions alter the order metric of the hyperuniformity, revealing that the intersite interaction considerably affects the hyperuniformity in particular on the electron-rich side.

cond-mat.str-el↗

arXiv2022

Doped Mott insulator on Penrose tiling

We study the effect of carrier doping to the Mott insulator on the Penrose tiling, aiming at clarifying the interplay between quasiperiodicity and strong electron correlations. We numerically solve the Hubbard model on the Penrose-tiling structure within a real-space dynamical mean-field theory, which can deal with a singular self-energy necessary to describe the Mott insulator and spatial inhomogeneity. We find that the strong correlation effect produces a charge distribution unreachable by a static mean-field approximation. In a small doping region, the spectrum shows a site-dependent gap just above the Fermi energy, which is generated by a singularly large self-energy emergent from the Mott physics and regarded as a real-space counterpart of the momentum-dependent pseudogap observed in a square-lattice Hubbard model.

cond-mat.str-el↗

arXiv2021

Fully filling-controlled pyrochlore ruthenates: emergent ferromagnetic-metal state and geometrical Hall effect

Carrier doping to the Mott insulator is essential to produce highly correlated metals with emergent properties. Pyrochlore ruthenates, Pr$_{2}$Ru$_{2}$O$_{7}$ (Ru-$4d$ electron number, $n=4$) and Ca$_{2}$Ru$_{2}$O$_{7}$ ($n=3$), are a Mott insulator and a magnetic bad metal, respectively, due to the strong electron correlation. We investigate magneto-transport properties of (Pr$_{1-x}$Ca$_{x}$)$_{2}$Ru$_{2}$O$_{7}$ in a whole band-filling range, $0<x<1$. With increasing hole-doping $x$, the system undergoes an insulator-metal transition. When Ca$_{2}$Ru$_{2}$O$_{7}$ is doped with electrons ($0.5<x<0.9$), the enhanced coupling among Ru-$4d$ spins produces a ferromagnetic-metal phase with a large anomalous-Hall angle up to 2 %. We discuss the electronic phase transitions in (Pr$_{1-x}$Ca$_{x}$)$_{2}$Ru$_{2}$O$_{7}$ in view of Hund's metal.

cond-mat.str-el↗

arXiv2020

Observation of small Fermi pockets protected by clean CuO2 sheets of a high-Tc superconductor

The superconductivity of high transition temperature (Tc) occurs in copper oxides with carrier-doping to an antiferromagnetic (AF) Mott insulator. This discovery more than thirty years ago immediately led to a prediction about the formation of a small Fermi pocket. This structure, however, has not yet been detected, while it could be a key element in relating high-Tc superconductivity to Mott physics. To address this long-standing issue, we investigate the electronic structure of a five-layered Ba2Ca4Cu5O10(F,O)2 with inner CuO2 planes demonstrated to be cleanest ever in cuprates. Most surprisingly, we find small Fermi surface (FS) pockets closed around (pi/2,pi/2) consistently by angle-resolved photoemission spectroscopy (ARPES) and quantum oscillation measurements. The d-wave superconducting gap opens along the pocket, revealing the coexistence between the superconductivity and AF order in the same CuO2 sheet. Our data further indicate that the superconductivity can occur without contribution from the states near the antinodal region, which are shared by other competing excitations such as the charge density wave (CDW) and pseudogap states. This will have significant implications for understanding the superconductivity and puzzling Fermi arc phenomena in cuprates.

cond-mat.supr-con↗

arXiv2020

Effect of Electron-Electron Interactions on Metallic State in Quasicrystals

We theoretically study the effect of electron-electron interactions on the metallic state of quasicrystals. To address the problem, we introduce the extended Hubbard model on the Ammann-Beenker tiling as a simple theoretical model. The model is numerically solved within an inhomogeneous mean-field theory. Because of the lack of periodicity, the metallic state is nonuniform in the electron density even in the noninteracting limit. We clarify how this charge distribution pattern changes with electron-electron interactions. We find that the intersite interactions change the distribution substantially and in an electron-hole asymmetric way. We clarify the origin of these changes through the analyses in the real and perpendicular spaces. Our results offer a fundamental basis to understand the electronic states in quasicrystalline metals.

cond-mat.str-el↗

arXiv2020

Physical properties of weak-coupling quasiperiodic superconductors

We numerically study the physical properties of quasiperiodic superconductors with the aim of understanding superconductivity in quasicrystals. Considering the attractive Hubbard model on the Penrose tiling as a simple theoretical model, we calculate various basic superconducting properties and find deviations from the universal values of the Bardeen-Cooper-Schrieffer theory. In particular, we find that the jump of the specific heat at the superconducting transition is about 10-20% smaller than that universal value, in consistency with the experimental results obtained for the superconducting Al-Mg-Zn quasicrystalline alloy. Furthermore, we calculate current-voltage characteristics and find that the current gradually increases with the voltage on the Penrose tiling in contrast to a rapid increase in the periodic system. These distinctions originate from the nontrivial Cooper pairing characteristic to the quasiperiodic system.

cond-mat.supr-con↗

arXiv2019

Exotic pairing state in quasicrystalline superconductors under magnetic field

We theoretically study the effect of a magnetic field on quasicrystalline superconductors, by modelling them as the attractive Hubbard model on the Penrose-tiling structure. We find that at low temperatures and under a high magnetic field there appears an exotic superconducting state with the order parameter changing its sign in real space. We discuss the state in comparison with the Fulde-Ferrell-Larkin-Ovchinnikov state proposed many years ago for periodic systems, clarifying commonalities and differences. It is remarkable that, even in the absence of periodicity, the electronic system finds a way to keep a coherent superconducting state with a spatially sign-changing order parameter compatible with the underlying quasiperiodic structure.

cond-mat.supr-con↗

arXiv2018

Direct Connection between Mott Insulator and d-Wave High-Temperature Superconductor Revealed by Continuous Evolution of Self-Energy Poles

The high-temperature superconductivity in copper oxides emerges when carriers are doped into the parent Mott insulator. This well-established fact has, however, eluded a microscopic explanation. Here we show that the missing link is the self-energy pole in the energy-momentum space. Its continuous evolution with doping directly connects the Mott insulator and high-temperature superconductivity. We show this by numerically studying the extremely small doping region close to the Mott insulating phase in a standard model for cuprates, the two-dimensional Hubbard model. We first identify two relevant self-energy structures in the Mott insulator; the pole generating the Mott gap and a relatively broad peak generating the so-called waterfall structure, which is another consequence of strong correlations present in the Mott insulator. We next reveal that either the Mott-gap pole or the waterfall structure (the feature at the energy closer to the Fermi level) directly transforms itself into another self-energy pole at the same energy and momentum when the system is doped with carriers. The anomalous self-energy yielding the superconductivity is simultaneously born exactly at this energy-momentum point. Thus created self-energy pole, interpreted as arising from a hidden fermionic excitation, continuously evolves upon further doping and considerably enhances the superconductivity. Above the critical temperature, the same self-energy pole generates a pseudogap in the normal state. We thus elucidate a unified Mott-physics mechanism, where the self-energy structure inherent to the Mott insulator directly gives birth to both the high-temperature superconductivity and pseudogap.

cond-mat.str-el↗

arXiv2018

Correlation-driven Lifshitz transition at the emergence of the pseudogap phase in the two-dimensional Hubbard model

We study the relationship between the pseudogap and Fermi-surface topology in the two-dimensional Hubbard model by means of the cellular dynamical mean-field theory. We find two possible mean-field metallic solutions on a broad range of interaction, doping and frustration: a conventional renormalized metal and an unconventional pseudogap metal. At half-filling, the conventional metal is more stable and displays an interaction-driven Mott metal-insulator transition. However, for large interaction and small doping, region that is relevant for cuprates, the pseudogap phase becomes the ground state. By increasing doping, we show that a first-order transition from the pseudogap to the conventional metal is tight to a change of the Fermi surface from hole to electron like, unveiling a correlation-driven mechanism for a Lifshitz transition. This explains the puzzling link between pseudogap phase and Fermi surface topology which has been pointed out in recent experiments.

cond-mat.str-el↗

arXiv2016

Superconductivity on a Quasiperiodic Lattice: Extended-to-Localized Crossover of Cooper Pairs

We study a possible superconductivity in quasiperiodic systems, by portraying the issue within the attractive Hubbard model on a Penrose lattice. Applying a real-space dynamical mean-field theory to the model consisting of 4181 sites, we find a superconducting phase at low temperatures. Reflecting the nonperiodicity of the Penrose lattice, the superconducting state exhibits an inhomogeneity. According to the type of the inhomogeneity, the superconducting phase is categorized into three different regions which cross over each other. Among them, the weak-coupling region exhibits spatially extended Cooper pairs, which are nevertheless distinct from the conventional pairing of two electrons with opposite momenta.

cond-mat.supr-con↗

arXiv2016

Real-space renormalized dynamical mean field theory

We propose real-space renormalized dynamical mean field theory (rr-DMFT) to deal with large clusters in the framework of a cluster extension of the DMFT. In the rr-DMFT, large clusters are decomposed into multiple smaller clusters through a real-space renormalization. In this work, the renormalization effect is taken into account only at the lowest order with respect to the intercluster coupling, which nonetheless reproduces exactly both the noninteracting and atomic limits. Our method allows us large cluster-size calculations which are intractable with the conventional cluster extensions of the DMFT with impurity solvers, such as the continuous-time quantum Monte Carlo and exact diagonalization methods. We benchmark the rr-DMFT for the two-dimensional Hubbard model on a square lattice at and away from half filling, where the spatial correlations play important roles. Our results on the spin structure factor indicate that the growth of the antiferromagnetic spin correlation is taken into account beyond the decomposed cluster size. We also show that the self-energy obtained from the large-cluster solver is reproduced by our method better than the solution obtained directly for the smaller cluster. When applied to the Mott metal-insulator transition, the rr-DMFT is able to reproduce the reduced critical value for the Coulomb interaction comparable to the large cluster result.

cond-mat.str-el↗

arXiv2016

Hidden-Fermion Representation of Self-energy in Pseudogap and Superconducting States of Two-Dimensional Hubbard Model

We study the frequency-dependent structure of electronic self-energy in the pseudogap and superconducting states of the two-dimensional Hubbard model. We present the self-energy calculated with the cellular dynamical mean-field theory systematically in the space of temperature, electron density, and interaction strength. We show that the low-frequency part of the self-energy is well represented by a simple equation, which describes the transitions of an electron to and from a hidden fermionic state. By fitting the numerical data with this simple equation, we determine the parameters characterizing the hidden fermion and discuss its identity. The simple expression of the self-energy offers a way to organize numerical data of this uncomprehended superconducting and pseudogap states, as well as a useful tool to analyze spectroscopic experimental results. The successful description by the simple two-component fermion model supports the idea of "dark" and "bright" fermions emerging from a bare electron as bistable excitations in doped Mott insulators.

cond-mat.str-el↗