arXiv subjects

Masao Ogata

Publications and source records attributed to Masao Ogata.

At least 109 records · Page 6Linked to original sources

arXiv2012

Low-Energy Effective Hamiltonian and the Surface States of Ca_3PbO

The band structure of Ca_3PbO, which possesses a three-dimensional massive Dirac electron at the Fermi energy, is investigated in detail. Analysis of the orbital weight distributions on the bands obtained in the first-principles calculation reveals that the bands crossing the Fermi energy originate from the three Pb-p orbitals and three Ca-dx2y2 orbitals. Taking these Pb-p and Ca-dx2y2 orbitals as basis wave functions, a tight-binding model is constructed. With the appropriate choice of the hopping integrals and the strength of the spin-orbit coupling, the constructed model sucessfully captures important features of the band structure around the Fermi energy obtained in the first-principles calculation. By applying the suitable basis transformation and expanding the matrix elements in the series of the momentum measured from a Dirac point, the low-energy effective Hamiltonian of this model is explicitely derived and proved to be a Dirac Hamiltonain. The origin of the mass term is also discussed. It is shown that the spin-orbit coupling and the orbitals other than Pb-p and Ca-dx2y2 orbitals play important roles in making the mass term finite. Finally, the surface band structures of Ca_3PbO for several types of surfaces are investigated using the constructed tight-binding model. We find that there appear nontrivial surface states that cannot be explained as the bulk bands projected on the surface Brillouin zone. The relation to the topological insulator is also discussed.

cond-mat.mtrl-sci↗

arXiv2011

Spin-Polarization in Magneto-Optical Conductivity of Dirac Electrons

A mechanism is proposed based on the Kubo formula to generate a spin-polarized magneto-optical current of Dirac electrons in solids which have strong spin-orbit interactions such as bismuth. The ac current response functions are calculated in the isotropic Wolff model under an external magnetic field, and the selection rules for Dirac electrons are obtained. By using the circularly polarized light and tuning its frequency, one can excite electrons concentrated in the spin-polarized lowest Landau level when the chemical potential locates in the band gap, so that spin-polarization in the magneto-optical current can be achieved.

cond-mat.mtrl-sci↗

arXiv2011

Three-Dimensional Dirac Electrons at the Fermi Energy in Cubic Inverse Perovskites: Ca_3PbO and its Family

The band structure of cubic inverse perovskites, Ca_3PbO and its family, are investigated with the first-principles method. A close observation of the band structure reveals that six equivalent Dirac electrons with a very small mass exist on the line connecting the Gamma- and X-points, and at the symmetrically equivalent points in the Brillouin zone. The discovered Dirac electrons are three-dimensional and remarkably located exactly at the Fermi energy. A tight-binding model describing the low-energy band structure is also constructed and used to discuss the origin of the Dirac electrons in this material. Materials related to Ca_3PbO are also studied, and some design principles for the Dirac electrons in this series of materials are proposed.

cond-mat.mtrl-sci↗

arXiv2011

Orbital-Selective Superconductivity and the Effect of Lattice Distortion in Iron-Based Superconductors

The superconducting (SC) state of iron-based compounds in both tetragonal and orthorhombic phases is studied on the basis of an effective Hamiltonian composed of the kinetic energy including the five Fe 3d-orbitals, the orthorhombic crystalline electric field (CEF) energy, and the two-orbital Kugel'-Khomskiĭ-type superexchange interaction. Our basic assumption is that the antiferromagnetic (AF) state in the parent compounds can be described by the $d_{xz}$ and $d_{yz}$ orbitals, and that the electrons in these orbitals have relatively strong electron correlation in the vicinity of the AF state. In order to study the physical origin of the structure-sensitive SC transition temperature, the effect of orthorhombic distortion is taken into account as the energy-splitting, $Δ_{\textrm{ortho.}}$, between the $d_{xz}$ and $d_{yz}$ orbitals. We find that the eigenvalue of the linearized gap equation decreases accompanied with the reduction of the partial density of states for the $d_{xz}$ and $d_{yz}$ orbitals as $Δ_{\textrm{ortho.}}$ increases, and that the dominant pairing symmetry is an unconventional fully gapped $s_{+-}$-wave pairing. We also find large anisotropy of the SC gap function in the orthorhombic phase. We propose that the CEF energy plays an important role in controlling $T_{\textrm{c}}$ and the SC gap function, and that orbital-selective superconductivity is a key feature in iron-based superconductors, which causes the structure-sensitive $T_{\textrm{c}}$.

cond-mat.str-el↗

arXiv2011

Effect of Doublon-Holon Binding on Mott transition---Variational Monte Carlo Study of Two-Dimensional Bose Hubbard Models

To understand the mechanism of Mott transitions in case of no magnetic influence, superfluid-insulator (Mott) transitions in the S=0 Bose Hubbard model at unit filling are studied on the square and triangular lattices, using a variational Monte Carlo method. In trial many-body wave functions, we introduce various types of attractive correlation factors between a doubly-occupied site (doublon, D) and an empty site (holon, H), which play a central role for Mott transitions, in addition to the onsite repulsive (Gutzwiller) factor. By optimizing distance-dependent parameters, we study various properties of this type of wave functions. With a hint from the Mott transition arising in a completely D-H bound state, we propose an improved picture of Mott transitions, by introducing two characteristic length scales, the D-H binding length $ξ_{\rm dh}$ and the minimum D-D exclusion length $ξ_{\rm dd}$. Generally, a Mott transition occurs when $ξ_{\rm dh}$ becomes comparable to $ξ_{\rm dd}$. In the conductive (superfluid) state, domains of D-H pairs overlap with each other ($ξ_{\rm dh}>ξ_{\rm dd}$); thereby D and H can propagate independently as density carriers by successively exchanging the partners. In contrast, intersite repulsive Jastrow (D-D and H-H) factors have little importance for the Mott transition.

cond-mat.str-el↗

arXiv2010

Single Impurity Problem in Iron-Pnictide Superconductors

Single impurity problem in iron-pnictide superconductors is investigated by solving Bogoliubov-de Gennes (BdG) equation in the five-orbital model, which enables us to distinguish s$_{+-}$ and s$_{++}$ superconducting states. We construct a five-orbital model suitable to BdG analysis. This model reproduces the results of random phase approximation in the uniform case. Using this model, we study the local density of states around a non-magnetic impurity and discuss the bound-state peak structure, which can be used for distinguishing s$_{+-}$ and s$_{++}$ states. A bound state with nearly zero-energy is found for the impurity potential $I\sim 1.0$ eV, while the bound state peaks stick to the gap edge in the unitary limit. Novel multiple peak structure originated from the multi-orbital nature of the iron pnictides is also found.

cond-mat.supr-con↗

arXiv2009

Crossover from dilute-Kondo system to heavy-fermion system

Ground state properties of a Kondo lattice model with random configuration of $f$ electrons are investigated with a variational Monte Carlo method. We show that the crossover from a dilute-Kondo system to a heavy-fermion system occurs when the density of $c$ and $f$ electrons ($n_c$, $n_f$) become comparable, $n_f\lesssim n_c$. In the heavy-fermion region, the correlation between $f$ electrons is strong and the $f$ electrons themselves greatly contribute to the screening of other $f$-electron moments. We propose that the character of Kondo screening changes from "individual" to "collective" across the crossover.

cond-mat.str-el↗

arXiv2009

Nagaoka ferromagnetism in large-spin systems -Fermion and Boson systems--

We study magnetic properties of itinerant quantum magnetic particles described by a generalized Hubbard model with large spin ($S>1/2$) which may be realized in optical lattices of laser-cooled atom systems. In fermion systems (half-integer spins), an extended form of Nagaoka ferromagnetism may be realized. However, as novel aspects of the large spin cases, we found that the condition on the lattice connectivity is more stringent than in the case of $S=1/2$ particles, and that the system shows a peculiar degenerate structure of the ground statein which the ferromagnetic state is included. In contrast, it turns out that the ground state of itinerant bosonic systems (integer spins) has a degenerate structure similar to that of fermion system with $S>1/2$ regardless of the shape, connectivity or filling of the lattice, and that the state with the maximum total spin is always one of the ground states.

cond-mat.str-el↗

arXiv2009

Partial order in a frustrated Potts model

We investigate a 4-state ferromagnetic Potts model with a special type of geometrical frustration on a three dimensional diamond lattice by means of Wang-Landau Monte Carlo simulation motivated by a peculiar structural phase transition found in $β$-pyrochlore oxide KOs$_2$O$_6$. We find that this model undergoes unconventional first-order phase transition; half of the spins in the system order in a two dimensional hexagonal-sheet-like structure, while the remaining half stay disordered. The ordered sheets and the disordered sheets stack one after another. We obtain a fairly large residual entropy at $T = 0$ which originates from the disordered sheets.

cond-mat.stat-mech↗

arXiv2009

Numerical Study of Current-Induced Domain-Wall Dynamics: Crossover from Spin Transfer to Momentum Transfer

We study current-induced dynamics of a magnetic domain wall by solving a time-dependent Schrödinger equation combined with Landau-Lifshitz-Gilbert equation in a one-dimensional electron system coupled to localized spins. Two types of domain-wall motions are observed depending on the hard-axis anisotropy, $K_{\perp}$, of the localized spin system. For small values of $K_{\perp}$, the magnetic domain wall shows a streaming motion driven by spin transfer. In contrast, for large values of $K_{\perp}$, a stick-slip motion driven by momentum transfer is obtained. We clarify the origin of these characters of domain-wall motions in terms of the dynamics of one-particle energy levels and distribution functions.

cond-mat.mes-hall↗

arXiv2008

Normal State Spin Dynamics of Five-band Model for Iron-pnictides

Normal state spin dynamics of the recently discovered iron-pnictide superconductors is discussed by calculating spin structure factor S(q, omega) in an itinerant five-band model within RPA approximation. Due to the characteristic Fermi surface structure of iron-pnictide, column like response is found at (pi, 0) in extended Brillouin zone in the undoped case, which is consistent with the recent neutron scattering experiment. This indicates that the localized spin model is not necessary to explain the spin dynamics of this system. Furthermore, we show that the temperature dependence of inelastic neutron scattering intensity can be well reproduced in the itinerant model. We also study NMR 1/T_1T in the same footing calculation and show that the itinerant model can capture the magnetic property of iron-pnictide superconductors.

cond-mat.str-el↗

arXiv2008

Phase Diagram of the Triangular t-J Model with Multiple Spin Exchange in the Doped-Mott Region

We study the triangular $t$-$J$ model with multiple spin exchange interactions using exact diagonalization of small clusters, as a model of monolayer liquid $^3$He. A phase where the energy spectrum suggest the behaviors of spin-charge separation is realized in the doped-Mott region due to the competition between ferromagnetic two-spin and antiferromagnetic four-spin exchange interactions. This behavior gives an interpretation of the double peaked heat capacity recently observed in monolayer liquid $^3$He adsorbed on a graphite.

cond-mat.str-el↗

arXiv2008

Unscreening Effect on Fe-Pnictide Superconductor

We study a microscopic mechanism of Fe-pnictide superconductor, considering the screening effects of Coulomb interaction in addition to the conventional spin-fluctuation mechanism. It is shown that, by electron doping, the transition temperature of superconductivity increases due to the "unscreening" effect even though the density of states decrease, while that of spin-density wave rapidly decreases due to breaking of nesting conditions. Our results give a clear interpretation to the mystery of interrelation between T_c and the density of states observed in the Fe-pnictide superconductors.

cond-mat.supr-con↗

arXiv2008

Fermi-Surface Reconstruction in the Periodic Anderson Model

We study ground state properties of periodic Anderson model in a two-dimensional square lattice with variational Monte Carlo method. It is shown that there are two different types of quantum phase transition: a conventional antiferromagnetic transition and a Fermi-surface reconstruction which accompanies a change of topology of the Fermi surface. The former is induced by a simple back-folding of the Fermi surface while the latter is induced by localization of $f$ electrons. The mechanism of these transitions and the relation to the recent experiments on Fermi surface are discussed in detail.

cond-mat.str-el↗

arXiv2008

Mean-Field Analysis of Electric Field Effect on Charge Orders in Organic Conductors

In order to investigate charge ordering phenomena under electric field, static nonequilibrium Hartree approximation (SNHA) method is formulated on the basis of the nonequilibrium Green's functions introduced by Keldysh. By applying the SNHA to the 3/4-filling extended Hubbard model on anisotropic triangular lattice, we study the stabilities and amplitudes of 3-fold and horizontal charge orders in $θ$ and $θ_d$-(BEDT-TTF)$_2X$ salts under the electric field. The obtained results show that the electric field stabilizes the 3-fold state in comparison to the horizontal state. The amplitude of the 3-fold state tends to decrease by the field, whereas that of the horizontal state does not change.

cond-mat.str-el↗

arXiv2008

Quantum Monte Carlo Study of the Quasi-One-Dimensional Superconductivity

We report on the result of quantum Monte Carlo simulation of quasi-one-dimensional electron systems at 1/4-filling, considering organic superconductors such as TMTSF- and TMTTF-salts. We focus on the effect of dimensionality (interchain coupling) on superconducting fluctuation. First we consider Hubbard model which includes only on-site repulsion U. We find that the increase of interchain coupling enhances superconducting susceptibility, although it deforms the nested Fermi surface and suppresses the spin susceptibility. Next we consider an extended Hubbard model which includes nearest-neighbor repulsion V . In this case we consider the competition between different symmetries of electron pairing, d_{x^2-y^2} - and d_xy-wave symmetry, and find that the particle-particle interaction vertex for d_{x^2-y^2}-wave pairing is no longer attractive even in the region where nesting condition still holds. On the other hand, the interaction vertex for d_xy-wave pairing persists to be attractive. The obtained results for the Hubbard model show qualitative agreement with recent renormalization group study, and have the possibility of accounting for the recent experimental result of (TMTTF)2SbF6, which exhibits a wider superconducting phase than the previous studies.

cond-mat.str-el↗

arXiv2008

Role of Frustration and Dimensionality in the Hubbard Model on the Stacked Square Lattice: Variational Cluster Approach

Using variational cluster approach, we study influence of frustration and dimensionality on magnetic properties in the ground state of Hubbard model on a stacked square lattice in the large $U$ region (U/t=10), by changing the next-nearest-neighbor hopping, $t^{\prime}$, and the interlayer hopping, $t_{\perp}$. For small $t_{\perp} t^{\prime}_{c_{2}}$. They are separated by a paramagnetic Mott insulating state which appears in the parameter region $t^{\prime}_{c_{1}} t^{\ast}_{\perp}$, the paramagnetic Mott insulating state disappears and a direct transition between antiferromagnetic state and collinear magnetic state occurs at $t^{\prime}=t^{\prime}_{c_{3}}$. We also find that the transition from the antiferromagnetic state to the paramagnetic Mott insulating state is of the second-order and that from the collinear magnetic state to the paramagnetic Mott insulating or the antiferromagnetic state is of the first-order.

cond-mat.str-el↗

arXiv2008

Increase of Superconducting Correlation due to Dimensionality Change in Quasi-One-Dimensional Conductors

Response functions for spin-density-wave (SDW) and d-wave singlet superconductivity ($d$SC) in quasi-one-dimensional (Q1D) electron systems are calculated by a renormalization group technique. It is shown that the response functions for both SDW, $χ_\rs$, and $d$SC, $χ_d$, are enhanced by interchain hopping, $t_\perp$, i.e., by quasi-one dimensionality. When the Fermi surface deviates from perfect nesting, $χ_\rs$ saturates below the energy scale of imperfectness of the nesting, while $χ_d$ is hardly affected. Consequently, the superconducting correlation increases even away from the SDW phase. This gives a possible interpretation of the recent experimental results of Q1D organic conductor (TMTTF)$_2$SbF$_6$, where $T_{\rm c}$ increases even away from the SDW phase.

cond-mat.str-el↗