arXiv subjects

Kazuhiko Kuroki

Publications and source records attributed to Kazuhiko Kuroki.

At least 181 records · Page 10Linked to original sources

arXiv2001

Electronic Structure of B-2p State in AlB2 Single Crystal: Direct Observation ofpσand pπDensity of States

X-ray emission (XES) and absorption (XAS) spectra near the B-$K$ edge were measured on single-crystalline AlB$_2$ compound which is an isostructural diboride of superconducting MgB$_2$. The partial density of states (PDOS) of B-2$pσ$ and $pπ$ orbitals were derived from the polarization dependence of XES and XAS spectra. There are considerable amounts of PDOS near the Fermi energy in AlB$_2$ similarly to that in MgB$_2$, but there are almost no PDOS in $pσ$ orbitals of AlB$_2$ near the Fermi energy, i.e., a pseudo-gap in $pσ$ state and a broad metallic state in $pπ$ state are observed. The present result indirectly supports scenarios that the $pσ$ holes play an important role in the occurrence of superconductivity in MgB$_2$. The overall features of PDOS were found to be in good agreement with the result of band calculation of AlB$_2$, but a small discrepancy in the Fermi energy is observed, which is attributed to the Al vacancy in the compounds, i.e., the estimated concentration is Al$_{0.93}$B$_2$.

cond-mat.supr-con↗

arXiv2001

d_{x^2-y^2}- vs. d_{xy}- like pairings in organic superconductors κ-(BEDT-TTF)_2 X

Pairing symmetry in $κ$-(BEDT-TTF)$_2$X is re-examined by applying fluctuation exchange method to the Hubbard model on the original four band lattice for the first time. Our study is motivated by the discrepancy between a recent thermal conductivity/tunneling spectroscopy experiments and the previous theories based on the effective single or two band model. In contrast to the previous theories, we find that $d_{x^2-y^2}$-like pairing dominates over $d_{xy}$ in agreement with recent experiments. Our study provides a general lesson that even if the Fermi surface seems to be reproduced by an effective model, the pairing symmetry can be different from that of the original system.

cond-mat.str-el↗

arXiv2001

Image-potential band-gap narrowing at a metal/semiconductor interface

GW approximation is used to systematically revisit the image-potential band-gap narrowing at metal/semiconductor interfaces proposed by Inkson in the 1970's. Here we have questioned how the narrowing as calculated from quasi-particle energy spectra for the jellium/Si interface depends on $r_s$ of the jellium. The gap narrowing is found to only weakly depend on $r_s$ (i.e., narrowing $\simeq 0.3$ eV even for a large $r_s = 6)$. Hence we can turn to smaller polarizability in the semiconductor side as an important factor in looking for larger narrowing.

cond-mat.mtrl-sci↗

arXiv2001

Gate-induced band ferromagnetism in an organic polymer

We propose that a chain of five-membered rings (polyaminotriazole) should be ferromagnetic with an appropriate doping that is envisaged to be feasible with an FET structure. The ferromagnetism is confirmed by a spin density functional calculation, which also shows that ferromagnetism survives the Peierls instability. We explain the magnetism in terms of Mielke and Tasaki's flat-band ferromagnetism with the Hubbard model. This opens a new possibility of band ferromagnetism in purely organic polymers.

cond-mat.str-el↗

arXiv2001

Possible high $T_c$ superconductivity mediated by antiferromagnetic spin fluctuations in systems with Fermi surface pockets

We propose that if there are two small pocket-like Fermi surfaces, and the spin susceptibility is pronounced around a wave vector {\bf Q} that bridges the two pockets, the spin-singlet superconductivity mediated by spin fluctuations may have a high transition temperature. Using the fluctuation exchange approximation, this idea is confirmed for the Hubbard on a lattice with alternating hopping integrals, for which $T_c$ is estimated to be almost an order of magnitude larger than those for systems with a large connected Fermi surface.

cond-mat.str-el↗

arXiv2001

A crib-shaped triplet pairing gap function for an orthogonal pair of quasi-one dimensional Fermi surfaces in Sr$_2$RuO$_4$

The competition between spin-triplet and singlet pairings is studied theoretically for the tight-binding $α$-$β$ bands in Sr$_2$RuO$_4$, which arise from two sets of quasi-one dimensional Fermi surfaces. Using multiband FLEX approximation, where we incorporate an anisotropy in the spin fluctuations as suggested from experiments, we show that (i) the triplet can dominate over the singlet (which turns out to be extended s), and (ii) the triplet gap function optimized in the Eliashberg equation has an unusual, very non-sinusoidal form, whose time-reversal-broken combination exhibits a crib-shaped amplitude with dips.

cond-mat.str-el↗

arXiv2000

Spin-triplet `f-wave' pairing proposed for an organic superconductor (TMTSF)_2 PF_6

By examining how the spin- and/or charge-fluctuation exchange can contribute to pairing instabilities, we propose that a spin-triplet f-wave-like pairing with a d-vector perpendicular to the b-axis may be realized in (TMTSF)_2 PF_6 due to (i) a quasi-one-dimensional Fermi surface, (ii) a coexistence of 2k_F charge fluctuations and spin fluctuations, and (iii) an anisotropy in spin fluctuations. Fluctuation-exchange study for the Hubbard model confirms the point (i), while a phenomelogical analysis is given for (ii) and (iii). The proposed pairing is consistent with various experiments.

cond-mat.supr-con↗

arXiv2000

Spin-triplet superconductivity in repulsive Hubbard models with disconnected Fermi surfaces: a case study on triangular and honeycomb lattices

We propose that spin-fluctuation-mediated spin-triplet superconductivity may be realized in repulsive Hubbard models with disconnected Fermi surfaces. The idea is confirmed for Hubbard models on triangular (dilute band filling) and honeycomb (near half-filling) lattices using fluctuation exchange approximation, where triplet pairing order parameter with f-wave symmetry is obtained. Possible relevance to real superconductors is suggested.

cond-mat.str-el↗

arXiv2000

d- and p-wave superconductivity mediated by spin fluctuations in two- and three-dimensional single-band repulsive Hubbard model

We have systematically studied superconducting instabilities in the repulsive Hubbard model for d-wave and p-wave pairing in various 2D and 3D lattices. Using fluctuation exchange approximation, we consider 3D face centered cubic lattice, 3D body centered cubic lattice, 3D simple cubic lattice, 2D square lattice and 2D triangular lattice, where either strong ferro- or antiferromagnetic spin fluctuation is present. We show that (i) d-wave instability mediated by antiferromagnetic spin fluctuations is stronger than p-wave instability mediated by ferromagnetic spin fluctuations both in 2D and 3D, and (ii)d-wave instability in 2D is much stronger than that in 3D. These amount that the "best" situation is the antiferromagnetic-fluctuation mediated in 2D as far as the single-band Hubbard model on ordinary lattices are concerned.

cond-mat↗

arXiv2000

Magnetic properties of the Hubbard model on three-dimensional lattices: fluctuation-exchange and two-particle self-consistent studies

The relation between three-dimensional lattice structure and magnetism in correlated electron systems is explored for face centered cubic (FCC), body centered cubic (BCC), and simple cubic (SC) lattices. In particular, we question which lattice structure has the strongest tendency toward the ferromagnetism or antiferromagnetism. We employ the Hubbard model to calculate the spin susceptibility and the single-particle spectrum with the fluctuation-exchange (FLEX) and the two-particle self-consistent (TPSC) approximations in the weak coupling regime. We have shown that (i) ferromagnetic spin fluctuations become dominant when the Fermi level lies around a sharp peak (divergence) in the density of states (D(E)) near the bottom of the band, which occurs for FCC with/without next nearest neighbor hoppings (t') or BCC with an appropriate value of t'. Among the cases studied, the ferromagnetic fluctuation is found to be the strongest for FCC with a finite t'. (ii) When the peak in D(E) resides around the band center as in bipartite SC or BCC, antiferromagnetic fluctuations become dominant when the band is close to the half-filling, with the fluctuation being much stronger in BCC.

cond-mat↗

arXiv1999

An electron correlation originated negative magnetoresistance in a system having a partly flat band

Inspired from an experimentally examined organic conductor, a novel mechanism for negative magnetoresistance is proposed for repulsively interacting electrons on a lattice whose band dispersion contains a flat portion (a flat bottom below a dispersive part here). When the Fermi level lies in the flat part, the electron correlation should cause ferromagnetic spin fluctuations to develop with an enhanced susceptibility. A relatively small magnetic field will then shift the majority-spin Fermi level to the dispersive part, resulting in a negative magnetoresistance. We have actually confirmed the idea by calculating the conductivity in magnetic fields, with the fluctuation exchange approximation, for the repulsive Hubbard model on a square lattice having a large second nearest-neighbor hopping.

cond-mat↗

arXiv1999

Spin-fluctuation exchange study of superconductivity in two- and three-dimensional single-band Hubbard models

In order to identify the most favorable situation for superconductivity in the repulsive single-band Hubbard model, we have studied instabilities for d-wave pairing mediated by antiferromagnetic spin fluctuations and p-pairing mediated by ferromagnetic fluctuations with the fluctuation exchange approximation in both two dimensions and three dimensions. By systematically varying the band filling and band structure we have shown that (i) d-pairing is stronger in two dimensions than in three dimensions, and (ii) p-pairing is much weaker than the d-pairing.

cond-mat↗

arXiv1999

A link between the spin fluctuation and Fermi surface in high T_C cuprates --- A consistent description within the single-band Hubbard model

A link between the spin fluctuation and the "fermiology" is explored for the single-band Hubbard model within the fluctuation exchange (FLEX) approximation. We show that the experimentally observed peak position of the spin structure in the high T_C cuprates can be understood from the model that reproduces the experimentally observed Fermi surface. In particular, both the variation of the incommensurability of the peak in the spin structure and the evolution of the Fermi surface with hole doping in La_{2-x}Sr_xCuO_4 may be understood with a second nearest neighbor hopping decreasing with hole doping.

cond-mat.str-el↗

arXiv1998

Superconductivity and spin correlation in organic conductors: a quantum Monte Carlo study

The d-wave pairing correlations along with spin correlation are calculated with quantum Monte Carlo method for the two-dimensional Hubbard model on lattice structures representing organic superconductors $κ$-(BEDT-TTF)$_2$X and (TMTSF)$_2$X. In both cases the pairing correlations for superconducting order parameters with nodes are found to be enhanced. The symmetry and the enhancement of the pairing is systematically correlated with the spin structure factor, suggesting a spin-fluctuation mediated pairing. We have further found that, as we deform the Fermi surface to make the system approach the half-filled square lattice, the coherence of the pairing saturates while the local pairing amplitude continues to increase.

cond-mat.str-el↗

arXiv1998

Spectral function of the spiral spin state in the trestle and ladder Hubbard model

Eder and Ohta have found a violation of the Luttinger rule in the spectral function for the t-t'-J model, which was interpreted as a possible breakdown of the Tomonaga-Luttinger(TL) description in models where electrons can pass each other. Here we have computed the spin correlation along with the spectral function for the one-dimensional t-t' Hubbard model and two-leg Hubbard ladder. By varying the Hubbard U we have identified that such a phenomenon is in fact a spinless-fermion-like behavior of holes moving in a spiral spin configuration that has a spin correlation length of the system size.

cond-mat↗

arXiv1998

Flat-band ferromagnetism induced by off-site repulsions

Density matrix renormalization group method is used to analyze how the nearest-neighbor repulsion V added to the Hubbard model on 1D triangular lattice and a railway trestle (t-t') model will affect the electron-correlation dominated ferromagnetism arising from the interference (frustration). Obtained phase diagram shows that there is a region in smaller-t' side where the critical on-site repulsion above which the system becomes ferromagnetic is reduced when the off-site repulsion is introduced.

cond-mat↗

arXiv1997

DMRG study of the spin gap in a one dimensional Hubbard model: effect of the distant transfer and exchange coupling

The spin gap of a one-dimensional repulsive Hubbard model is numerically calculated with the density matrix renormalization group, with a special emphasis on the effect of a next-nearest neighbor hopping (t') and the nearest-neighbor ferromagnetic exchange (J) interaction. At half-filling, a significant spin gap opens if |t'| \simeq |t| and J=0, in agreement with the weak coupling theory, while the gap is strongly suppressed by the introduction of J. On the other hand, the quarter-filled system has very small spin gaps regardless of the values of t' and J. Implications for the CuO_2 chain in Sr_{14}Cu_{24}O_{41} and related materials are discussed.

cond-mat↗

arXiv1997

A consistent description of the pairing symmetry in hole and electron doped cuprates within the two dimensional Hubbard model

Quantum Monte Carlo is used to calculate various pairing correlations of the 2D Hubbard model possessing band features experimentally observed in the cuprates. In the hole-doped case, where the Fermi level lies close to the van Hove singularities around $(0,π)$, the d$_{x^2-y^2}$ pairing correlation is selectively enhanced, while in the electron-doped case, where the singularities are far below the Fermi level and the Fermi surface runs through $(\pm π/2,\pm π/2)$, both d$_{x^2-y^2}$ and d$_{xy}$ correlations are enhanced with the latter having a $\sqrt{2}\times \sqrt{2}$ structure. The two pairing symmetries can mix to result in a nodeless gap.

cond-mat.str-el↗