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Kazuhiko Kuroki

Publications and source records attributed to Kazuhiko Kuroki.

At least 145 records · Page 8Linked to original sources

Theoretical Aspects of Charge Correlations in $θ$-(BEDT-TTF)$_2X$

A review is given on the theoretical studies of charge correlations in $θ$-(BEDT-TTF)$_2X$. Various studies show that within a purely electronic model on the $θ$-type lattice with the on-site $U$ and the nearest neighbor $V_p$ and $V_c$ interactions, the diagonal stripe, c-axis three-fold, and the vertical stripe charge correlations are favored in the regime $V_p< V_c$, $V_p\sim V_c$, and $V_p> V_c$, respectively. In the realistic parameter regime of $V_p\sim V_c$, there is a competition between c-axis three fold state and the diagonal stripe state. Since these are different from the experimentally observed a-axis three fold and the horizontal stripe charge correlations, additional effects have to be included in order to understand the experiments. The electron-lattice coupling, which tends to distort the lattice into the $θ_d$-type, is found to favor the horizontal stripe state, suggesting that the occurrence of this stripe ordering in the actual materials may not be of purely electronic origin. On the other hand, distant electron-electron interactions have to be considered in order to understand the a-axis three fold correlation, whose wave vector is close to the nesting vector of the Fermi surface. These studies seem to suggest that the minimal model to understand the charge correlation in $θ$-(BEDT-TTF)$_2X$ may be more complicated than expected. Future problems regarding the competition between different types of charge correlations are discussed.

cond-mat.str-el↗

Strong parity mixing in the FFLO superconductivity in systems with coexisting spin and charge fluctuations

We study the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state of spin fluctuation mediated pairing, and focus on the effect of coexisting charge fluctuations. We find that (i) consecutive transitions from singlet pairing to FFLO and further to $S_z=1$ triplet pairing can generally take place upon increasing the magnetic field when strong charge fluctuations coexist with spin fluctuations, and (ii) the enhancement of the charge fluctuations lead to a significant increase of the parity mixing in the FFLO state, where the triplet/singlet component ratio in the gap function can be close to unity. We propose that such consecutive pairing state transition and strong parity mixing in the FFLO state may take place in a quasi-one-dimensional organic superconductor (TMTSF)$_2X$.

cond-mat.supr-con↗

First-principles study on the origin of large thermopower in hole-doped LaRhO3 and CuRhO2

Based on first-principles calculations, we study the origin of the large thermopower in Ni-doped LaRhO3 and Mg-doped CuRhO2. We calculate the band structure and construct the maximally localized Wannier functions from which a tight binding Hamiltonian is obtained. The Seebeck coefficient is calculated within the Boltzmann's equation approach using this effective Hamiltonian. For LaRhO3, we find that the Seebeck coefficient remains nearly constant within a large hole concentration range, which is consistent with the experimental observation. For CuRhO2, the overall temperature dependence of the calculated Seebeck coefficient is in excellent agreement with the experiment. The origin of the large thermopower is discussed.

cond-mat.mtrl-sci↗

Unconventional pairing originating from disconnected Fermi surfaces in superconducting LaFeAsO$_{1-x}$F$_x$}

For a newly discovered iron-based high $T_c$ superconductor LaFeAsO$_{1-x}$F$_x$, we have constructed a minimal model, where inclusion of all the five Fe $d$ bands is found to be necessary. Random-phase approximation is applied to the model to investigate the origin of superconductivity. We conclude that the multiple spin fluctuation modes arising from the nesting across the disconnected Fermi surfaces realize an extended s-wave pairing, while d-wave pairing can also be another candidate.

cond-mat.supr-con↗

Electronic Structure and Electron Correlation in LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x

Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character of Fe 3d electrons. The valence-band spectra are generally consistent with band-structure calculations except for the shifts of Fe 3d-derived peaks toward the Fermi level. From spectra taken in the Fe 3p -> 3d core-absorption region, we have obtained the experimental Fe 3d partial density of states, and explained it in terms of a band-structure calculation with a phenomenological self-energy correction, yielding a mass renormalization factor of ~< 2.

cond-mat.supr-con↗

Strong magnetic field enhancement of spin triplet pairing arising from coexisting $2k_F$ spin and $2k_F$ charge fluctuations

We study the effect of the magnetic field (Zeeman splitting) on the triplet pairing. We show generally that the enhancement of spin triplet pairing mediated by coexisting $2k_F$ spin and $2k_F$ charge fluctuations can be much larger than in the case of triplet pairing mediated by ferromagnetic spin fluctuations. We propose that this may be related to the recent experiment for (TMTSF)$_2$ClO$_4$, in which a possibility of singlet to triplet pairing transition has been suggested.

cond-mat.supr-con↗

"Pudding mold" band drives large thermopower in Na$_x$CoO$_2$

In the present study, we pin down the origin of the coexistence of the large thermopower and the large conductivity in Na$_x$CoO$_2$. It is revealed that not just the density of states (DOS), the effective mass, nor the band width, but the peculiar {\it shape} of the $a_{1g}$ band referred to as the "pudding mold" type, which consists of a dispersive portion and a somewhat flat portion, is playing an important role in this phenomenon. The present study provides a new guiding principle for designing good thermoelectric materials.

cond-mat.mtrl-sci↗

Superconductivity due to spin fluctuations originating from multiple Fermi surfaces in a double chain superconductor Pr$_2$Ba$_4$Cu$_7$O$_{15-δ}$}

The mechanism of superconductivity in Pr$_2$Ba$_4$Cu$_7$O$_{15-δ}$ is studied using a quasi-one dimensional double chain model with appopriate hopping integrals, on-site $U$, and off-site repulsion $V_1$. Applying the fluctuation exchange method to this model and solving the Eliashberg equation, we obtain the doping dependence of superconductivity that is consistent with the experiments. The superconducting gap has an extended s-wave-like form, which gives a temperature dependence of the spin lattice relaxation rate that does not contradict with the experimental results.

cond-mat.supr-con↗

Effect of the Vortices on the Nuclear Spin Relaxation Rate in the Unconventional Pairing States of the Organic Superconductor (TMTSF)$_2$PF$_6$

This Letter theoretically discusses quasiparticle states and nuclear spin relaxation rates $T_1^{-1}$ in a quasi-one-dimensional superconductor (TMTSF)$_2$PF$_6$ under a magnetic field applied parallel to the conduction chains. We study the effects of Josephson-type vortices on $T_1^{-1}$ by solving the Bogoliubov de Gennes equation for $p$-, $d$- or $f$-wave pairing interactions. In the presence of line nodes in pairing functions, $T_1^{-1}$ is proportional to $T$ in sufficiently low temperatures because quasiparticles induced by vortices at the Fermi energy relax spins. We also try to identify the pairing symmetry of (TMTSF)$_2$PF$_6$.

cond-mat.supr-con↗

A unified origin for the 3D magnetism and superconductivity in Na$_x$CoO$_2$

We analyze the origin of the three dimensional (3D) magnetism observed in nonhydrated Na-rich Na$_x$CoO$_2$ within an itinerant spin picture using a 3D Hubbard model. The origin is identified as the 3D nesting between the inner and outer portions of the Fermi surface, which arise due to the local minimum structure of the $a_{1g}$ band at the $Γ$-A line. The calculated spin wave dispersion strikingly resembles the neutron scattering result. We argue that this 3D magnetism and the spin fluctuations responsible for superconductivity in the hydrated systems share essentially the same origin.

cond-mat.str-el↗

The Origin of the Charge Ordering and Its Relevance to Superconductivity in $θ$-(BEDT-TTF)$_2$X: The Effect of the Fermi Surface Nesting and the Distant Electron-Electron Interactions

The origin of the charge ordering in organic compounds $θ$-(BEDT-TTF)$_2 X$ ($X=MM'$(SCN)$_4$, $M=$Tl,Rb,Co, $M'=$Cs,Zn) is studied using an extended Hubbard model. Calculating the charge susceptibility within random phase approximation (RPA), we find that the $(3\times 3)\sim (3\times 4)$ charge ordering observed at relatively high temperatures can be considered as a consequence of a cooperation between the Fermi surface nesting, controlled by the hopping integral in the $c$ direction, and the electron-electron interactions, where the distant (next nearest neighbor) interactions that have not been taken into account in most of the previous studies play an important role.Mean field analysis at T=0 also supports the RPA results, and further shows that in the $3\times 3$ charge ordered state, some portions of the Fermi surface remain ungapped and are nested with a nesting vector close to the modulation wave vector of the horizontal stripe ordering observed at low temperatures in $X=MM'$(SCN)$_4$. We further study the possibility of superconductivity by taking into account the distant off-site repulsions and the band structure corresponding to $X=$I$_3$, in which superconductivity is experimentally observed. We find that there is a close competition between $d_{xy}$-wave-like singlet pairing and $p_{x+2y}$-wave-like triplet pairing due to a cooperation between the charge and the spin fluctuations. The present analysis provides a possible unified understanding of the experimental phase diagram of the $θ$-(BEDT-TTF)$_2 X$ family, ranging from a charge ordered insulator to a superconductor.

cond-mat.str-el↗

Pairing Symmetry Competition in Organic Superconductors

A review is given on theoretical studies concerning the pairing symmetry in organic superconductors. In particular, we focus on (TMTSF)$_2$X and $κ$-(BEDT-TTF)$_2$X, in which the pairing symmetry has been extensively studied both experimentally and theoretically. Possibilities of various pairing symmetry candidates and their possible microscopic origin are discussed. Also some tests for determining the actual pairing symmtery are surveyed.

cond-mat.str-el↗

Two-band Fluctuation Exchange Study on the Superconductivity of $β'$-(BEDT-TTF)$_2$ICl$_2$ under High Pressure

We study the pressure dependence of the superconducting transition temperature of an organic superconductor $β'$-(BEDT-TTF)$_2$ICl$_2$ by applying the fluctuation exchange method to the Hubbard model on the original two-band lattice at 3/4-filling rather than the single band model in the strong dimerization limit. Our study is motivated by the fact that hopping parameters evaluated from a first-principles study suggest that the dimerization of the BEDT-TTF molecules is not so strong especially at high pressure. Solving the linearized Eliashberg's equation, a d$_{xy}$-wave-like superconducting state with realistic values of $T_c$ is obtained in a pressure regime somewhat higher than the actual experimental result. These results are similar to those obtained within the single band model in the previous study by Kino {\it et al}. We conclude that the resemblance to the dimer limit is due to a combination of a good Fermi surface nesting, a large density of states near the Fermi level, and a moderate dimerization, which cooperatively enhance electron correlation effects and also the superconducting $T_c$.

cond-mat.supr-con↗

Superconductivity from a long-range interaction: a crossover between the electron gas and the lattice model

We explore how the superconductivity arising from the on-site electron-electron repulsion will change when the repulsion is changed to a long-ranged, 1/r-like one by introducing an extended Hubbard model with the repulsion extending to distant (12th) neighbors. With a simplified fluctuation-exchange approximation, we have found for the square lattice that (i) as the band filling becomes dilute enough, the charge susceptibility becomes comparable with the spin susceptibility, where p and then s pairings become dominant, in agreement with the result for the electron gas by Takada, while (ii) the d-wave, which reflects the lattice structure, dominates well away from the half filling. All these can be understood in terms of the spin and charge structures along with the shape and size of the Fermi surface.

cond-mat.supr-con↗

Extended s-wave pairing originating from the $a_{1g}$ band in Na$_x$CoO$_2\cdot y$ H$_2$O

Motivated by recent experiments and band calculation results, we investigate the possibility of superconductivity originating from the $a_{1g}$ band of Na$_x$CoO$_2\cdot y$H$_2$O assuming the absence of $e_g'$ pockets. We adopt a single band $U$-$V$ model that takes into account the local minimum of the $a_{1g}$ band dispersion at the $Γ$ point. Using the fluctuation exchange method, we find that an s-wave pairing with a gap that changes sign between the inner and the outer Fermi surfaces is enhanced due to the coexistence of spin fluctuations at wave vectors bridging the two Fermi surfaces and the charge fluctuations near the K point. Possible relevance to the experimental results is discussed.

cond-mat.str-el↗

The spin-triplet superconductivity induced by the charge fluctuation in extended Hubbard model

The pairing symmetry in the electron mechanism for superconductivity is explored when charge fluctuations coexist with spin fluctuations. The extended Hubbard model is adopted to obtain, with the fluctuation exchange approximation, a phase diagram against the on-site Coulomb repulsion U and the off-site repulsion V for the square lattice with second-neighbor hopping t'. We have found that (i) for large U(>9) a triplet superconductivity with a sin(kx+ky) symmetry can appear just below the charge density wave phase. The pairing is degenerate with sin(kx-ky), so a chiral sin(kx+ky)+isin(kx-ky) that breaks the time reversal symmetry should result, which is a candidate for the gap function on the gamma band of Sr2RuO4 and is consistent with a recent measurement of the specific heat. (ii) By systematically deforming the Fermi surface with varied t', we have identified the region where the triplet pairing is most favored to be the region where the Fermi surface traverses the van Hove singularity with the charge susceptibility strongly enhanced.

cond-mat.supr-con↗

Electronic structure and spontaneous internal field around non-magnetic impurities in spin-triplet chiral p-wave superconductors

The electronic structure around an impurity in spin triplet p-wave superconductors is studied by the Bogoliubov-de Gennes theory on a tight-binding model, where we have chosen $\sin{p_x}{+}{\rm i}\sin{p_y}$-wave or $\sin{(p_x+p_y)}{+}{\rm i}\sin{({-}p_x{+}p_y)}$-wave states which are considered to be candidates for the pairing state in Sr$_{2}$RuO$_{4}$. We calculate the spontaneous current and the local density of states around the impurity and discuss the difference between the two types of pairing. We propose that it is possible to discriminate the two pairing states by studying the spatial dependence of the magnetic field around a pair of impurities.

cond-mat.supr-con↗

High T_c superconductivity due to coexisting wide and narrow bands: A fluctuation exchange study on the Hubbard ladder as a test case

We propose that when the Fermi level lies within a wide band and also lies close to but not within a coexisting narrow band, high $T_c$ superconductivity may take place due to the large number of interband pair scattering channels and the small renormalization of the quasiparticles. We show using fluctuation exchange method that this mechanism works for the Hubbard model on a ladder lattice with diagonal hoppings. From this viewpoint, we give a possible explanation for the low $T_c$ for the actual hole doped ladder compound, and further predict a higher $T_c$ for the case of electron doping.

cond-mat.str-el↗