arXiv subjects

T. Tohyama

Publications and source records attributed to T. Tohyama.

At least 37 records · Page 2Linked to original sources

arXiv2009

Modeling Antiferromagnetic Phase in Iron Pnictides: Weakly Ordered State

We examine electronic states of antiferromagnetic phase in iron pnictides by mean-field calculations of the optical conductivity. We find that a five-band model exhibiting a small magnetic moment, inconsistent with the first-principles calculations, reproduces well the excitation spectra characterized by a multi-peak structure emerging below the Néel temperature at low energy, together with an almost temperature-independent structure at high energy. Investigating the interlayer magnetoresistance for this model, we also predict its characteristic field dependence reflecting the Fermi surface.

cond-mat.supr-con↗

arXiv2009

Nuclear Quadrupole Resonance Frequency in Multi-Layered Cuprates

The 63Cu nuclear quadrupole resonance (NQR) frequency, nu_q, in the multi-layered cuprates is calculated in the cluster model by the exact diagonalization method. The charge imbalance between the outer CuO_2 plane (OP) with apical oxygen (OA) and the inner plane (IP) without OA in three-layered Tl2223 is estimated by comparing our results with the experimental nu_q. In Tl-based cuprates with more than three layers, we predict a large enhancement of the splitting of nu_q between OP and IP by taking into account the reduction of bond length between Cu and OA and a resulting enhancement of the charge transfer energy. Our results show that the NQR frequency is a useful quantity to estimate the charge imbalance in the multi-layered cuprates.

cond-mat.supr-con↗

arXiv2009

Hole Binding around Ni Impurity in Cuprates

We examine the influence of Ni impurity in cuprates on the distribution of hole carriers by performing numerically exact diagonalization calculations for a model consisting of Cu3d, Ni3d, and O2p orbitals. Using realistic parameters for the system, we find that a hole is predominantly bound to O2p orbitals around the Ni impurity forming the Zhang-Rice doublet. This imposes strong restrictions on modeling Ni-substituted cuprates. We propose a resonant inelastic x-ray scattering experiment for Ni K-edge to confirm hole binding around the Ni impurity.

cond-mat.str-el↗

arXiv2009

Analysis of transport properties of iron pnictides: spin-fluctuation scenario

We present a phenomenological theory of quasiparticle scattering and transport relaxation in the normal state of iron pnictides based on the simplified two-band model coupled via spin fluctuations. In analogy with anomalous properties of cuprates it is shown that a large and anomalous normal-state resistivity and thermopower can be interpreted as the consequence of strong coupling to spin fluctuations. The generalization to the superconducting phase is also discussed.

cond-mat.str-el↗

arXiv2008

Origin of spatial variation of pairing gap in Bi-based high-Tc cuprates

Recently, scanning tunneling microscopy on Bi-2212 cuprate superconductor has revealed a spatial variation of the energy gap that is directly correlated with a modulation of the apical oxygen position. We identify two mechanisms by which out-of-plane oxygens can modulate the pairing interaction within the CuO_2 layer: a covalency between the x^2-y^2 band and apical p-orbital, and a screening of correlation U by apical oxygen polarization. Both effects strongly depend on the apical oxygen position and their cooperative action explains the experiment.

cond-mat.supr-con↗

arXiv2007

Momentum-resolved charge excitations in high-Tc cuprates studied by resonant inelastic x-ray scattering

We report a Cu K-edge resonant inelastic x-ray scattering (RIXS) study of high-Tc cuprates. Momentum-resolved charge excitations in the CuO2 plane are examined from parent Mott insulators to carrier-doped superconductors. The Mott gap excitation in undoped insulators is found to commonly show a larger dispersion along the [pi,pi] direction than the [pi,0] direction. On the other hand, the resonance condition displays material dependence. Upon hole doping, the dispersion of the Mott gap excitation becomes weaker and an intraband excitation appears as a continuum intensity below the gap at the same time. In the case of electron doping, the Mott gap excitation is prominent at the zone center and a dispersive intraband excitation is observed at finite momentum transfer.

cond-mat.str-el↗

arXiv2007

Temperature and doping dependence of high-energy kink in cuprates

It is shown that spectral functions within the extended t-J model, evaluated using the finite-temperature diagonalization of small clusters, exhibit the high-energy kink in single-particle dispersion consistent with recent angle-resolved photoemission results on hole-doped cuprates. The kink and waterfall-like features persist up to large doping and to temperatures beyond $J$ hence the origin can be generally attributed to strong correlations and incoherent hole propagation at large binding energies. In contrast, our analysis predicts that electron-doped cuprates do not exhibit these phenomena in photoemission.

cond-mat.str-el↗

arXiv2007

Numerical approach to low-doping regime of the t-J model

We develop an efficient numerical method for the description of a single-hole motion in the antiferromagnetic background. The method is free of finite-size effects and allows calculation of physical properties at an arbitrary wavevector. Methodical increase of the functional space leads to results that are valid in the thermodynamic limit. We found good agreement with cumulant expansion, exact- diagonalization approaches on finite lattices as well as self-consistent Born approximations. The method allows a straightforward addition of other inelastic degrees of freedom, such as lattice effects. Our results confirm the existence of a finite quasiparticle weight near the band minimum for a single hole and the existence of string-like peaks in the single-hole spectral function.

cond-mat.str-el↗

arXiv2007

Momentum Dependent Charge Excitations of Two-Leg Ladder: Resonant Inelastic X-ray Scattering of (La,Sr,Ca)14Cu24O41

Momentum dependent charge excitations of a two-leg ladder are investigated by resonant inelastic x-ray scattering of (La,Sr,Ca)14Cu24O41. In contrast to the case of a square lattice, momentum dependence of the Mott gap excitation of the ladder exhibits little change upon hole-doping, indicating the formation of hole pairs. Theoretical calculation based on a Hubbard model qualitatively explains this feature. In addition, experimental data shows intraband excitation as continuum intensity below the Mott gap and it appears at all the momentum transfers simultaneously. The intensity of the intraband excitation is proportional to the hole concentration of the ladder, which is consistent with optical conductivity measurements.

cond-mat.str-el↗

arXiv2007

Fermi surface and pseudogap in electron-doped cuprates

Spectral functions are evaluated numerically within the t-t'-J model as relevant for electron-doped cuprates. The Fermi surface develops from a pocket-like into a large one with doping. The corresponding pseudogap in the nodal direction is well resolved at low doping and vanishes at intermediate doping. Its presence is strongly temperature dependent and thus connected to longer-range antiferromagnetic correlations. Features including double effective band and optical conductivity are consistent with experiments on electron-doped cuprates without invoking the closing of the Mott-Hubbard gap.

cond-mat.str-el↗

arXiv2006

Effect of frustration on charge dynamics for a doped two-dimensional triangular Hubbard lattice: Comparison with a square lattice

We examine the optical conductivity σ(ω) and the chemical potential μ, together with the spin correlation, in the strong-coupling limit of a hole-doped two-dimensional triangular Hubbard model near half filling by using an exact diagonalization technique. In contrast to the case of a square lattice without frustration, the doping dependences of μand the Drude weight indicate that the charge degree of freedom is weakly coupled to the spin degree of freedom. However, we find that σ(ω) shows strong incoherent excitations extended to a higher energy region. This implies that geometrical frustration in strongly correlated electron systems influences incoherent charge dynamics.

cond-mat.str-el↗

arXiv2006

Effect of Kondo resonance on optical third harmonic generation

We use the method of dynamical mean field thoery, to study the effect of Kondo resonance on optical third harmonic generation (THG) spectra of strongly correlated systems across the metal-insulator transition. We find that THG signals are proportional to the quasiparticle weight $z$ of the Kondo peak, and are precursors of Mott-Hubbard gap formation.

cond-mat.str-el↗

arXiv2006

Dynamical mean field theory of optical third harmonic generation

We formulate the third harmonic generation (THG) within the dynamical mean field theory (DMFT) approximation of the Hubbard model. In the limit of large dimensions, where DMFT becomes exact, the vertex corrections to current vertices are identically zero, and hence the calculation of the THG spectrum reduces to a time-ordered convolution, followd by appropriate analytic continuuation. We present the typical THG spectrum of the Hubbard model obtained by this method. Within our DMFT calculation, we observe a nontrivial approximate {\em scaling} function describing the THG spectra in all Mott insulators, independent of the gap magnitude.

cond-mat.str-el↗

arXiv2006

Anomalous temperature dependence of the single-particle spectrum in the organic conductor TTF-TCNQ

The angle-resolved photoemission spectrum of the organic conductor TTF-TCNQ exhibits an unusual transfer of spectral weight over a wide energy range for temperatures 60K<T<260K. In order to investigate the origin of this finding, here we report numerical results on the single-particle spectral weight A(k,omega) for the one-dimensional (1D) Hubbard model and, in addition, for the 1D extended Hubbard and the 1D Hubbard-Holstein models. Comparisons with the photoemission data suggest that the 1D Hubbard model is not sufficient for explaining the unusual T dependence, and the long-range part of the Coulomb repulsion also needs to be included.

cond-mat.str-el↗

arXiv2006

Nonlinear Optical Response of Spin Density Wave Insulators

We calculate the third order nonlinear optical response in the Hubbard model within the spin density wave (SDW) mean field ansatz in which the gap is due to onsite Coulomb repulsion. We obtain closed-form analytical results in one dimension (1D) and two dimension (2D), which show that nonlinear optical response in SDW insulators in 2D is stronger than both 3D and 1D. We also calculate the two photon absorption (TPA) arising from the stress tensor term. We show that in the SDW, the contribution from stress tensor term to the low-energy peak corresponding to two photon absorption becomes identically zero if we consider the gauge invariant current properly.

cond-mat.str-el↗

arXiv2006

Symmetry of Photoexcited States and Large-Shift Raman Scattering in Two-Dimensional Mott Insulators

Symmetry of photoexcited states with two photoinduced carriers in two-dimensional Mott insulators is examined by applying the numerically exact diagonalization method to finite-size clusters of a half-filled Hubbard model in the strong-coupling limit. The symmetry of minimum-energy bound state is found to be s-wave, which is different from a d_{x^2-y^2} wave of a two-hole pair in doped Mott insulators. We demonstrate that the difference is originated from an exchange of fermions due to the motion of a doubly occupied site. Correspondingly large-shift Raman scattering across the Mott gap exhibits a minimum-energy excitation in the A1 (s-wave) channel. We discuss implications of the results for the Raman scattering and other optical experiments.

cond-mat.str-el↗

arXiv2006

Charge Imbalance Effects on Interlayer Hopping and Fermi Surfaces in Multilayered High-T_c Cuprates

We study doping dependence of interlayer hoppings, t_\perp, in multilayered cuprates with four or more CuO_2 planes in a unit cell. When the double occupancy is forbidden in the plane, an effective amplitude of t_\perp in the Gutzwiller approximation is shown to be proportional to the square root of the product of doping rates in adjacent two planes, i.e., t^eff_\perp \propto t_\perp \sqrt{δ_1δ_2}, where δ_1 and δ_2 represent the doping rates of the two planes. More than three-layered cuprates have two kinds of \cuo planes, i.e., inner- and outer planes (IP and OP), resulting in two different values of t^eff_{\perp}, i.e., t^eff_\perp 1 \propto t_\perp \sqrt{δ_IP δ_IP} between IP's, and t^eff_\perp 2 \propto t_\perp \sqrt{δ_IP δ_OP} between IP and OP. Fermi surfaces are calculated in the four-layered t-t'-t''-J model by the mean-field theory. The order parameters, the renormalization factor of t_\perp, and the site-potential making the charge imbalance between IP and OP are self-consistently determined for several doping rates. We show the interlayer splitting of the Fermi surfaces, which may be observed in the angle resolved photoemission spectroscopy measurement.

cond-mat.str-el↗

arXiv2005

Theory of RIXS in strongly correlated electron systems: Mott gap excitations in cuprates

We theoretically examine the momentum dependence of resonant inelastic x-ray scattering (RIXS) spectrum for one-dimensional and two-dimensional cuprates based on the single-band Hubbard model with realistic parameter values. The spectrum is calculated by using the numerical diagonalization technique for finite-size clusters. We focus on excitations across the Mott gap and clarify spectral features coming from the excitations as well as the physics behind them. Good agreement between the theoretical and existing experimental results clearly demonstrates that the RIXS is a potential tool to study the momentum-dependent charge excitations in strongly correlated electron systems.

cond-mat.str-el↗