arXiv subjects

Takami Tohyama

Publications and source records attributed to Takami Tohyama.

At least 109 records · Page 6Linked to original sources

arXiv2014

Memory function approach to in-plane anisotropic resistivity in the antiferromagnetic phase of iron arsenide superconductors

We theoretically examine anisotropy of in-plane resistivity in the striped antiferromagnetic phase of an iron arsenide superconductor by applying a memory function approach to the ordered phase with isotropic nonmagnetic impurity. We find that the anisotropy of the scattering rate is independent of carrier density when the topology of the Fermi surface is changed after the introduction of holes. On the other hand, the anisotropy of the Drude weight monotonically decreases reflecting the distortion of the Dirac Fermi surface and eventually leads to the reverse of anisotropy of resistivity, being consistent with experiment. The origin of the anisotropy is thus attributed to the interplay of impurity scattering and anisotropic electronic states.

cond-mat.supr-con↗

arXiv2014

Lifshitz Transition Induced by Magnetic Field in Frustrated Two-Leg Spin-Ladder Systems

The magnetization curve in a frustrated two-leg spin-ladder system is theoretically studied using both analytical and numerical methods. This spin system is mapped onto a hard-core boson system, which is composed of bond-operators describing the triplon excitation. By the analytical method using the mean-field theory on the bond-operators, we show that cusp singularities emerge in the magnetization curve as a function of a magnetic field due to the strong frustration. This originates from a change of number of Fermi points in the bosonic dispersion relation with the applied field. It is analogous to Lifshitz transition. This singularity is clarified by numerical calculation with the density-matrix renormalization-group method. Our results will be useful to understand the magnetization process observed in the frustrated two-leg spin-ladder compound BiCu2PO6.

cond-mat.str-el↗

arXiv2014

Coexistence of Antiferromagnetism and Superconductivity in Iron-Based Superconductors

We theoretically investigate the coexistence of antiferromagnetism and superconductivity in the iron-based superconductors by using the mean-field theory for two- and three-orbital models. We find that both the s_{+-}-wave and s_{++}-wave superconductivity can coexist with antiferromagnetism in the two models. On Dirac Fermi surfaces emerging in the antiferromagnetic phase, a superconducting-gap function has a node for s_{++} wave but is nodeless for s_{+-} wave. On the other hand, the gap function on non-Dirac Fermi surfaces is either nodeless or accidentally nodal, depending on the parameters of pairing interaction, which is independent of pairing symmetry.

cond-mat.supr-con↗

arXiv2013

Spin-Spin Correlation Enhanced by Impurities in a Frustrated Two-leg Spin Ladder

We theoretically study a spin-spin correlation enhanced by non-magnetic impurities in a frustrated two-leg spin ladder. The frustration is introduced by the next-nearest-neighbor antiferromagnetic interaction in the leg direction in the antiferromagnetic two-leg spin ladder. The spin-spin correlation function around impurity site is calculated by the density-matrix renormalization-group method. We find that the spin-spin correlation is enhanced around impurity site with the wavenumber reflecting the frustration. As increasing the frustration, the wavenumber is shifted from commensurate to incommensurate. We discuss several experimental results on BiCu2PO6 in the light of our theory.

cond-mat.str-el↗

arXiv2013

Double-Pulse Deexcitations in a One-Dimensional Strongly Correlated System

We investigate the ultrafast optical response of the one-dimensional half-filled extended Hubbard model exposed to two successive laser pulses. By using the time-dependent Lanczos method, we find that following the first pulse, the excitation and deexcitation process between the ground state and excitonic states can be precisely controlled by the relative temporal displacement of the pulses. The underlying physics can be understood in terms of a modified Rabi model. Our simulations clearly demonstrate the controllability of ultrafast transition between excited and deexcited phases in strongly correlated electron systems.

cond-mat.str-el↗

arXiv2013

Optical properties of monoclinic HfO2 studied by first-principles local density approximation +U approach

The band structures and optical properties of monoclinic HfO2 are investigated by the local density approximation (LDA)+U approach. With the on-site Coulomb interaction being introduced to 5d orbitals of Hf atom and 2p orbitals of O atom, the experimental band gap is reproduced. The imaginary part of the complex dielectric function shows a small shoulder at the edge of the band gap, coinciding with the experiments. This intrinsic property of crystallized monoclinic HfO2, which is absent in both the tetragonal phase and cubic phase, can be understood as a consequence of the reconstruction of the electronic states near the band edge following the adjustment of the crystal structure. The existence of a similar shoulder-like-structure in the monoclinic phase of ZrO2 is predicted.

cond-mat.mtrl-sci↗

arXiv2013

First-principles generalized gradient approximation (GGA) +Ud+Up studies of electronic structures and optical properties in cubic HfO2

The electronic structures and optical properties of cubic HfO2 are calculated by means of generalized gradient approximation (GGA) +U approach. Without on-site Coulomb interactions, the band gap of cubic HfO2 is 2.92eV, much lower than the experimental value (5.7eV). Introducing the Coulomb interactions of 5d orbitals on Hf atom (Ud) and of 2p orbitals on O atom (Up), we can reproduce the experimental value of the band gap. The calculated dielectric function of cubic HfO2 by the GGA+ Ud + Up approach predicts the presence of a shoulder structure below the main peak of the absorption spectrum. These indicate that the GGA +Ud +UP approach is a convenient and powerful method to calculate and predict the electronic structures and the optical properties of wide-gap optical materials.

cond-mat.mtrl-sci↗

arXiv2013

Frustration effect on magnetic excitations in a two-leg spin-ladder system

We theoretically study the magnetic excitations in a frustrated two-leg spin-ladder system, in which antiferromagnetic exchange interactions act on the nearest-neighbor and next-nearestneighbor bonds in the leg direction, and on the nearest-neighbor bonds in the rung direction. A dynamical spin correlation function at zero temperature is calculated by using the dynamical density-matrix renormalization-group method for possible magnetic phases, i.e., columnar-dimer and rung-singlet phases. The columnar-dimer phase is characterized by multi-spinon excitations with spin gap, while the rung-singlet phase is dominated by the triplet excitation in the rung direction. It is found that a major difference between these two phases appears in the spectral weight of magnetic excitations, in particular, of the bonding and anti-bonding modes in the rung direction. Therefore, we can distinguish one phase from the other by the difference of the spectral weight. Furthermore, we examine frustration effect on both modes in the rung-singlet phase with a perturbation theory from the strong coupling limit. It is shown that the anti-bonding mode is stable against the frustration, and a wavenumber with minimum excitation energy is shifted from the commensurate to incommensurate ones. On the other hand, the bonding mode is merged into the continuum excitation of multiple triplet excitations by increasing the frustration. By comparing our results with inelastic neutron scattering experiments for BiCu$_2$PO$_6$, the magnitude of the magnetic exchange interactions and the ground state will be determined.

cond-mat.str-el↗

arXiv2013

Spin Dynamics and Resonant Inelastic X-ray Scattering in Chromium with Commensurate Spin-Density Wave Order

We theoretically investigate spin dynamics and $L_3$-edge resonant inelastic X-ray scattering (RIXS) of Chromium with commensurate spin-density wave (SDW) order, based on a multi-band Hubbard model composed of 3$d$ and 4$s$ orbitals. Obtaining the ground state with the SDW mean-field approximation, we calculate the dynamical transverse and longitudinal spin susceptibility by using random-phase approximation. We find that a collective spin-wave excitation seen in inelastic neutron scattering hardly damps up to $\sim$0.6 eV. Above the energy, the excitation overlaps individual particle-hole excitations as expected, leading to broad spectral weight. On the other hand, the collective spin-wave excitation in RIXS spectra has a tendency to be masked by large spectral weight coming from particle-hole excitations with various orbital channels. This is in contrast with inelastic neutron scattering, where only selected diagonal orbital channels contribute to the spectral weight. However, it may be possible to detect the spin-wave excitation in RIXS experiments in the future if resolution is high enough.

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

Pressure Induced Ferromagnetism in Cubic Perovskite SrFeO3 and BaFeO3

The spin order in cubic perovskite SrFeO3 and BaFeO3 under high pressure is studied by density functional theory (DFT) calculation with local spin density approximation plus Hubbard U (LSDA+U). At ambient pressure, A-type and G-type helical spin orders are almost degenerate in BaFeO3 whose lattice constant is 3.97Å . When the lattice constant is reduced to 3.85 Å which is same as the lattice constant of SrFeO3 at ambient pressure, G-type helical spin order becomes stable, being consistent with SrFeO3. This is because superexchange interaction is enhanced as compared with double exchange interaction. Phase transition from helical spin state to ferromagnetic state in both SrFeO3 and BaFeO3 takes place if the lattice constant is further reduced to 3.70 Å. This is because reduced local spin moment weakens the contribution from superexchange interaction. Our result agrees with recent experimental result of BaFeO3 under high pressure. Additionally, our calculation predicts that half-metal BaFeO3 at ambient pressure will become a good metal under high pressure

cond-mat.str-el↗

arXiv2012

Enhancement of antiferromagnetic correlations below superconducting transition temperature in bilayer superconductors

Motivated by the recent experiment in multilayered cuprate superconductors reporting the enhancement of antiferromagnetic order below the superconducting transition temperature, we study the proximity effect of the antiferromagnetic correlation in a bilayer system and also examine the possibility of a coexistence of antiferromagnetic order and superconductivity. We present the result of mean field theory that is consistent with the experiment and supports the proximity effect picture.

cond-mat.str-el↗

arXiv2012

First Principles Calculation of Helical Spin Order in Iron Perovskite SrFeO3 and BaFeO3

Motivated by recent discovery of ferromagnetism in cubic perovskite BaFeO3 under small magnetic field, we investigate spin order in BaFeO3 and isostructual SrFeO3 by the first principles calculation. The on-site Coulomb and exchange interactions are necessary for the helical spin order consistent with experiments. SrFeO3 exhibits stable G-type helical order, while A- and G-type helical orders in BaFeO3 are almost degenerate at short propagating vector with tiny energetic barrier with respect to ferromagnetic spin order, explaining ferromagnetism under small field. The results are consistent with model calculation where negative charge-transfer energy is explicitly taken into account.

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

Quantum Dynamics of a Driven Correlated System Coupled to Phonons

Nonequilibrium interplay between charge, spin and lattice degrees of freedom on a square lattice is studied for a single charge carrier doped in the t-J-Holstein model. In the presence of an uniform electric field we calculate the qusistationary state. With increasing electron-phonon (e-ph) coupling the carrier mobility decreases, however, we find increased steady state current due to e-ph coupling in the regime of negative differential resistance. We explore the distribution of absorbed energy between the spin and the phonon subsystem. For model parameters as relevant for cuprates, the majority of the gained energy flows into the spin subsystem.

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↗

arXiv2011

ARPES Spectral Function in Lightly Doped and Antiferromagnetically Ordered YBa2Cu3O{6+y}

At doping below 6% the bilayer cuprate YBa2Cu3O{6+y} is a collinear antiferromagnet. Independent of doping the value of the staggered magnetization at zero temperature is about 0.6μ_B. This is the maximum value of the magnetization allowed by quantum fluctuations of localized spins. In this low doping regime the compound is a normal conductor with a finite resistivity at zero temperature. These experimental observations create a unique opportunity for theory to perform a controlled calculation of the electron spectral function. In the present work we perform this calculation within the framework of the extended t-J model. As one expects the Fermi surface consists of small hole pockets centered at (π/2,π/2). The electron spectral function is very strongly anisotropic with maximum of intensity located at the inner parts of the pockets and with very small intensity at the outer parts. We also found that the antiferromagnetic correlations act against the bilayer bonding-antibonding splitting destroying it. The bilayer Fermi surface splitting is practically zero.

cond-mat.str-el↗