arXiv subjects

Shigetoshi Sota

Publications and source records attributed to Shigetoshi Sota.

36 records · Page 2Linked to original sources

arXiv2019

A charge model as an effective model of one-dimensional Hubbard and extended Hubbard systems: its application to linear optical spectrum calculations in large systems based upon many-body Wannier functions

We propose an effective model called the "charge model", for the half-filled one-dimensional Hubbard and extended Hubbard models. In this model, spin-charge separation, which has been justified from an infinite on-site repulsion ($U$) in the strict sense, is compatible with charge fluctuations. Our analyses based on the many-body Wannier functions succeeded in determining the optical conductivity spectra in large systems. The obtained spectra reproduce the spectra for the original models well even in the intermediate $U$ region of $U=5-10T$, with $T$ being the nearest-neighbor electron hopping energy. These results indicate that the spin-charge separation works fairly well in this intermediate $U$ region against the usual expectation and that the charge model is an effective model that applies to actual quasi-one-dimensional materials classified as strongly correlated electron systems.

cond-mat.str-el↗

arXiv2019

Quantum annealing for systems of polynomial equations

Numerous scientific and engineering applications require numerically solving systems of equations. Classically solving a general set of polynomial equations requires iterative solvers, while linear equations may be solved either by direct matrix inversion or iteratively with judicious preconditioning. However, the convergence of iterative algorithms is highly variable and depends, in part, on the condition number. We present a direct method for solving general systems of polynomial equations based on quantum annealing, and we validate this method using a system of second-order polynomial equations solved on a commercially available quantum annealer. We then demonstrate applications for linear regression, and discuss in more detail the scaling behavior for general systems of linear equations with respect to problem size, condition number, and search precision. Finally, we define an iterative annealing process and demonstrate its efficacy in solving a linear system to a tolerance of $10^{-8}$.

quant-ph↗

arXiv2019

Machine Learning Phase Diagram in the Half-filled One-dimensional Extended Hubbard Model

We demonstrate that supervised machine learning (ML) with entanglement spectrum can give useful information for constructing phase diagram in the half-filled one-dimensional extended Hubbard model. Combining ML with infinite-size density-matrix renormalization group, we confirm that bond-order-wave phase remains stable in the thermodynamic limit.

cond-mat.str-el↗

arXiv2018

Dynamical DMRG study of spin and charge excitations in the four-leg t-t'-J ladder

The ground state of the t-t'-J ladder with four legs favors a striped charge distribution for the parameters corresponding to hole-doped cuprate superconductors. We investigate the dynamical spin and charge structure factors of the model by using the dynamical density matrix renormalization group (DMRG) and clarify the influence of the stripe on the structure factors. The dynamical charge structure factor along the momentum direction from q=(0,0) to (pi,0) clearly shows low-energy excitations corresponding to the stripe order in hole doping. On the other hand, the stripe order weakens in electron doping, resulting in fewer low-energy excitations in the charge channel. In the spin channel, we find incommensurate spin excitations near q=(pi,pi) forming an hourglass behavior in hole doping, while in electron doping we find clearly spin-wave-like dispersions starting from q=(pi,pi). Along the (0,0)-(pi,0) direction, the spin excitations are strongly influenced by the stripes in hole doping, resulting in two branches that form a discontinuous behavior in the dispersion. In contrast, the electron-doped systems show a downward shift in energy toward (pi,0). These behaviors along the (0,0)-(pi,0) direction are qualitatively similar to momentum-dependent spin excitations recently observed by resonant inelastic x-ray scattering experiments in hole- and electron-doped cuprate superconductors.

cond-mat.str-el↗

arXiv2018

Ground state phase diagram of Kitaev-Heisenberg model on honeycomb-triangular lattice

The Kitaev-Heisenberg model defined on both honeycomb and triangular lattices has been studied intensively in recent years as a possible model to describe spin-orbital physics in iridium oxides. In the model, there are many phases characteristic for each lattice. However, there is no study how the phases in the two lattices merge each other when geometry changes from honeycomb lattice to triangular lattice. We investigate the ground state of the Kitaev-Heisenberg model defined on the system connecting the honeycomb and triangular lattices, named a honeycomb-triangular lattice. We obtain a ground state phase diagram of this model with classical spins by using the Luttinger-Tisza method and classical Monte Carlo simulation. In addition to known phases in the honeycomb and triangular lattices, we find coexisting phases consisting of the known phases. Based on the exact diagonalization and density-matrix renormalization group calculations for the model with quantum spins, we find that quantum fluctuations less affect on the phase diagram.

cond-mat.str-el↗

arXiv2017

Ground state phase diagram of the triangular lattice Hubbard model by density matrix renormalization group method

Two-dimensional density-matrix renormalization group method is employed to examine the ground state phase diagram of the Hubbard model on the triangular lattice at half filling. The calculation reveals two discontinuities in the double occupancy with increasing the repulsive Hubbard interaction U at Uc1 = 7.55 t and Uc2 = 9.65 t (t being the hopping integral), indicating that there are three phases separated by first order transitions. The absence of any singularity in physical quantities for 0 < U < Uc1 implies that this phase corresponds to a metallic phase. The local spin density induced by an applied pinning magnetic field for U > Uc2 exhibits a three sublattice feature, which is compatible with the Neel ordered state realized in the strong coupling limit. For Uc1 < U < Uc2, a response to the applied pinning magnetic field is comparable to that in the metallic phase but a relatively large spin correlation length is found with neither valence bond nor chiral magnetic order, suggesting a paramagnetic nature which resembles gapless spin liquid. The calculation also finds that the pair- ing correlation function monotonically decreases with increasing U and thus the superconductivity is unlikely in the intermediate phase.

cond-mat.str-el↗

arXiv2017

Static and Dynamic Magnetic Properties of Spin-1/2 Inequilateral Diamond-Chain Compounds $A_3$Cu$_3$AlO$_2$(SO$_4$)$_4$ ($A$=K, Rb, and Cs)

Spin-1/2 compounds A3Cu3AlO2(SO4)4 (A=K, Rb, and Cs) have one-dimensional (1D) inequilateral diamond chains. We analyze the temperature dependence of the magnetic susceptibility and determine the magnetic exchange interactions. In contrast to the azurite, a dimer is formed on one of the sides of the diamond. From numerical analyses of the proposed model, we find that the dimer together with a nearly isolated 1D Heisenberg chain characterizes magnetic properties including magnetization curve and magnetic excitations. This implies that a dimer-monomer composite chain without frustration is a good starting point for describing these compounds.

cond-mat.str-el↗

arXiv2016

Ground state properties of $\mathrm{Na_2IrO_3}$ determined from $\textit{ab initio}$ Hamiltonian and its extensions containing Kitaev and extended Heisenberg interactions

We investigate the ground state properties of $\mathrm{Na_2IrO_3}$ based on numerical calculations of the recently proposed {\it ab initio} Hamiltonian represented by Kitaev and extended Heisenberg interactions. To overcome the limitation posed by small tractable system sizes in the exact diagonalization study employed in a previous study (Yamaji $\textit{et al.}$, Phys. Rev. Lett. $\textbf{113}$, 107201 (2014)), we apply two-dimensional density matrix renomalization group, and infinite-size tensor-network method. By calculating at much larger system sizes, we critically test the validity of the exact diagonalization results. The results consistently indicate that the ground state of $\mathrm{Na_2IrO_3}$ is a magnetically ordered state with zigzag configuration in agreement with experimental observations and the previous diagonalization study. Applications of the two independent methods in addition to the exact diagonalization study further uncover a consistent and rich phase diagram near the zigzag phase beyond the accessibility of the exact diagonalization. For example, in the parameter space away from the $\textit{ab initio}$ value of $\mathrm{Na_2IrO_3}$ controlled by the trigonal distortion, we find three phases: (i) an ordered phase with the magnetic moment aligned mutually in $120$ degrees orientation on every third hexagon, (ii) a magnetically ordered phase with a $16$-site unit-cell, and (iii) an ordered phase with presumably incommensurate periodicity of the moment. It suggests that potentially rich magnetic structures may appear in $A_\mathrm{2}\mathrm{IrO_3}$ compounds for $A$ other than Na. The present results also serve to establish the accuracy of the first-principles approach in reproducing the available experimental results thereby further contribute to find a route to realize the Kitaev spin liquid.

cond-mat.str-el↗

arXiv2015

Enhanced charge excitations in electron-doped cuprates by resonant inelastic x-ray scattering

Resonant inelastic x-ray scattering (RIXS) tuned for the Cu L edge is a possible tool to detect charge excitations in cuprate superconductors. We theoretically investigate the possibility for observing a collective charge excitation by the RIXS. The RIXS process via the intermediate state inevitably makes the spectral weight of charge excitation stronger in electron doping than in hole doping. Electron-hole asymmetry also appears in the dynamical charge structure factor, showing a new enhanced small-momentum low-energy mode in electron doping. These facts indicate a possibility of detecting the new charge mode by RIXS in electron-doped systems.

cond-mat.str-el↗

arXiv2015

Density-Matrix Renormalization Group Study of Extended Kitaev-Heisenberg Model

We study an extended Kitaev-Heisenberg model including additional anisotropic couplings by using two-dimensional density-matrix renormalization group method. Calculating the gound-state energy, entanglement entropy, and spin-spin correlation functions, we make a phase diagram of the extended Kitaev-Heisenberg model around spin-liquid phase. We find a zigzag antiferromagnetic phase, a ferromagnetic phase, a 120-degree antiferromagnetic phase, and two kinds of incommensurate phases around the Kitaev spin-liquid phase. Furthermore, we study the entanglement spectrum of the model and find that entanglement levels in the Kitaev spin-liquid phase are degenerate forming pairs but those in the magnetically ordered phases are non-degenerate. The Schmidt gap defined as the energy difference between the lowest two levels changes at the phase boundary adjacent to the Kitaev spin-liquid phase. However, we find that phase boundaries between magnetically ordered phases do not necessarily agree with the change of the Schmidt gap.

cond-mat.str-el↗

arXiv2014

Density-matrix renormalization group study of third harmonic generation in one-dimensional Mott insulator coupled with phonon

We examine the third-order non-linear optical response of a one-dimensional Mott insulator coupled with phonons. The Mott insulator is described by an extended Hubbard-Holstein model. The third harmonic generation (THG) of the model is calculated by dynamical density-matrix renormalization group. We find that the electron-phonon interaction enhances the intensity of THG if the on-site Coulomb interaction is comparable to the band width, but the enhancement is small for a realistic parameter value of a typical Mott insulator Sr$_2$CuO$_3$. The low-energy spin excitation does not contribute to the optical response if the electron-phonon coupling is neglected. We find that the THG spectrum can detect the spin excitations even for no electron-phonon coupling. The introduction of the electron-phonon coupling leads to a slight increase of low-energy weight in THG without peak structure through phonon-assisted spin excitation. To fully understand the phonon-assisted spin excitation, we additionally calculate the linear susceptibility of a doped Hubbard-Holstein model, showing a spectral distribution different from that at half filling.

cond-mat.str-el↗

arXiv2012

Photoinduced spin-order destructions in one-dimensional extended Hubbard model

By employing the time-dependent Lanczos method, the nonequilibrium process of the half-filled one-dimensional extended Hubbard model under the irradiation of a transient laser pulse is investigated. We show that in the spin-density-wave (SDW) phase, the antiferromagnetic spin correlations are impaired by the photoinduced charge carriers. Near the phase boundary between the SDW and charge-density-wave (CDW) phases, a local enhancement of charge (spin) order that is absent in the original SDW (CDW) phase can be realized with proper laser frequency and strength. The possibility of restoration of spin orders from the CDW phase by optical means is discussed.

cond-mat.str-el↗

arXiv2012

Enhanced charge order in a photoexcited one-dimensional strongly correlated system

We present a compelling response of a low-dimensional strongly correlated system to an external perturbation. Using the time-dependent Lanczos method we investigate a nonequilibrium evolution of the half-filled one-dimensional extended Hubbard model, driven by a transient laser pulse. When the system is close to the phase boundary, by tuning the laser frequency and strength, a sustainable charge order enhancement is found that is absent in the Mott insulating phase. We analyze the conditions and investigate possible mechanisms of emerging charge order enhancement. Feasible experimental realizations are proposed.

cond-mat.str-el↗

arXiv2012

Relaxation Dynamics of Photocarriers in One-Dimensional Mott Insulators Coupled to Phonons

We examine recombination processes of photocarriers in one-dimensional Mott insulators coupled to phonons. Performing density matrix renormalization group calculations, we find that, even for small electron-phonon coupling, many phonons are generated dynamically, which cause initial relaxation process after the irradiation. At the same time, spin-charge coupling coming from mixing of high- and low-energy states by the irradiation is suppressed. We discuss differences between Mott and band insulators in terms of relaxation dynamics.

cond-mat.str-el↗

arXiv2011

Spin Excitation Assisted by Non-Softening Phonon for Spin-Peierls Model

We study spin dynamics of a spin-Peierls chain with nearest-neighbor and next-nearest-neighbor Heisenberg spin exchange interactions together with a gapped and dispersionless phonon. The dynamical spin correlation function and phonon excitation spectrum are calculated at zero temperature by using dynamical density-matrix renormalization-group method. We find a new spin excitation assisted by non-softening phonon. The excitation is located above phonon in energy and shows a dispersive feature with strong intensity near the momentum $π$. The phonon excitation spectrum is also influenced by the spin-phonon interaction. We discuss the possibility of observing the spin-phonon coupled features in inorganic spin-Peierls compound CuGeO$_3$.

cond-mat.str-el↗

arXiv2010

Density matrix renormalization group study of optical conductivity in the one-dimensional Mott insulator Sr_2CuO_3

Applying newly developed dynamical density matrix renormalization group techniques at zero and finite temperatures to a Hubbard-Holstein model at half-filling, we examine the optical conductivity of a typical one-dimensional Mott insulator Sr_2CuO_3. We find a set of parameters in the Hubbard-Holstein model, which can describe optical conductivity for both Mott-gap excitation in the high-energy region and phonon-assisted spin excitation in the low-energy region. We also find that electron-phonon interaction gives additional broadening in the temperature dependence of the Mott-gap excitation.

cond-mat.str-el↗

arXiv2010

Chirality in spin-1/2 zigzag XY chain: Low-temperature density-matrix renormalization group study

We study spin chirality for a spin-1/2 zigzag XY chain at low temperature by applying a low-temperature density-matrix renormalization group technique. We calculate temperature dependence of dynamical and static correlations of the chirality. In a chiral phase, chiral long-range order at zero temperature disappears at finite temperature, consistent with the fact that there is no long-range order at finite temperature in one-dimensional systems with short-range interactions. In a dimer phase next to the chiral phase, we find an enhancement of static chiral correlation as well as spin correlation with increasing temperature. The enhancement corresponds to the increase of spectral weight inside a gap in the dynamical chiral-correlation function. This temperature-induced chiral correlation is a demonstration of the presence of a chiral state in excited states.

cond-mat.str-el↗

arXiv2008

Low-temperature density matrix renormalization group using regulated polynomial expansion

We propose a density matrix renormalization group (DMRG) technique at finite temperatures. As is the case of the ground state DMRG, we use a single-target state that is calculated by making use of a regulated polynomial expansion. Both static and dynamical quantities are obtained after a random-sampling and averaging procedure. We apply this technique to the one-dimensional Hubbard model at half filling and find that this gives excellent results at low temperatures.

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