arXiv subjects

Kazuhiko Kuroki

Publications and source records attributed to Kazuhiko Kuroki.

At least 163 records · Page 9Linked to original sources

arXiv2005

A quantum Monte Carlo study on the superconducting Kosterlitz-Thouless transition of the attractive Hubbard model on a triangular lattice

We study the superconducting Kosterlitz-Thouless transition of the attractive Hubbard model on a two-dimensional triangular lattice using auxiliary field quantum Monte Carlo method for system sizes up to $12\times 12$ sites. Combining three methods to analyze the numerical data, we find, for the attractive interaction of $U=-4t$, that the transition temperature stays almost constant within the band filling range of $1.0 < n < 1.4$, while it is found to be much lower in the $n<1$ region.

cond-mat.str-el↗

arXiv2005

The effect of interchain interaction on the pairing symmetry competition in organic superconductors (TMTSF)$_2$X

We investigate the effect of interchain repulsive interaction on the pairing symmetry competition in quasi-one-dimensional organic superconductors (TMTSF)$_2$X by applying random phase approximation and quantum Monte Carlo calculation to an extended Hubbard model. We find that interchain repulsive interaction enhances the $2k_F$ charge fluctuations, thereby making the possibility of spin-triplet $f$-wave pairing dominating over spin-singlet d-wave pairing realistic.

cond-mat.str-el↗

arXiv2004

Holes in the valence band of superconducting boron-doped diamond film studied by soft X-ray absorption and emission spectroscopy

Carbon- and boron-2$p$ states of superconducting and non-superconducting boron-doped diamond samples are measured using soft X-ray emission and absorption spectroscopy. For the superconducting sample, a large density of hole states is observed in the valence band in addition to the states in the impurity band. The hole states in the valence band is located at about 1.3 eV below the valence band maximum regardless of the doping level, which cannot be interpreted within a simple rigid band model. Present experimental results, combined with the first principles calculations, suggest that superconductivity is to be attributed to the holes in the valence band.

cond-mat.supr-con↗

arXiv2004

Phase diagram of the two-dimensional extended Hubbard model: Phase transitions between different pairing symmetries when charge and spin fluctuations coexist

In order to explore how superconductivity arises when charge fluctuations and spin fluctuations coexist, we have obtained a phase diagram against the off-site repulsion V and band filling n for the extended, repulsive Hubbard model on the square lattice with the fluctuation exchange approximation. We have found the existence of (i) a transition between dxy and dx2-y2 pairing symmetries, (ii) f-pairing in between the dx2-y2 and CDW phases for intermediate 0.5 f -> s when V (hence the charge fluctuations) are increased. All these are consequences of the structure in the charge and spin susceptibilities, which have peaks habitating at the common or segregated positions in k space.

cond-mat.supr-con↗

arXiv2004

Competition between singlet and triplet pairings in Na_xCoO_2 yH_2O

We discuss the pairing symmetry of a cobaltate superconductor Na$_x$CoO$_2\cdot y$ H$_2$O by adopting an effective single band model that takes into account the $e_g'$ hole pockets, as discussed in our previous paper [to appear in Phys. Rev. Lett.] Here we consider the off-site repulsions in addition to the on-site repulsion considered in our previous study. We show that the spin-triplet f-wave pairing proposed in our previous study is robust to some extent even in the presence of off-site repulsions. However, f-wave pairing gives way to singlet pairings for sufficiently large values of off-site repulsions. Among the singlet pairings, i-wave and extended s-wave pairings are good candidates which do not break time reversal symmetry below $T_c$ in agreement with the experiments.

cond-mat.str-el↗

arXiv2004

Possible spin-triplet $f$-wave pairing due to disconnected Fermi surfaces in Na$_x$CoO$_2\cdot y$H$_2$O

We propose that spin-triplet pairing mechanism due to disconnected Fermi surfaces proposed in our previous study [Phys. Rev. B {\bf 63} 174507 (2001)] may be at work in a recently discovered superconductor Na$_x$CoO$_2$ $\cdot y$ H$_2$O. We introduce a single band effective model that takes into account the pocket-like Fermi surfaces along with the van Hove singularity near the K point found in the band calculation results. Applying fluctuation exchange method and solving the linearized {É}liashberg equation, the most dominant pairing is found to have spin-triplet $f$-wave symmetry, where the nodes of the gap function do not intersect the pocket Fermi surfaces. Presence of finite $T_c$ is suggested in sharp contrast with cases when the gap nodes intersect the Fermi surface.

cond-mat.str-el↗

arXiv2004

Off-site-repulsion induced Triplet Superconductivity: a possibility of chiral p$_{x+y}$ pairing in Sr$_2$RuO$_4$

In order to probe the effect of charge fluctuations on triplet pairing, we study the pairing symmetry in the one-band Hubbard model having the off-site Coulomb repulsion ($V$) on top of the on-site repulsion as a model for the $γ$ band of Sr$_2$RuO$_4$, a strong candidate for triplet pairing superconductor. The result, obtained with the dynamical cluster approximation combined with the quantum Monte-Carlo method, and confirmed from the fluctuation exchange approximation, shows that while $d_{x^2-y^2}$-pairing dominates over $p$ in the absence of $V$, introduction of $V$ makes $p_{x+y}$ and $d_{xy}$ dominant. The gap function for the chiral $p_{x+y}$+i$p_{x-y}$ has nodes that are consistent with the recent measurement of specific heat in rotated magnetic fields in the ruthenate. This suggests that the off-site repulsion may play an essential role in triplet superconductivity in this material.

cond-mat.str-el↗

arXiv2003

Flat-band ferromagnetism proposed for an organic polymer crystal

Motivated from the flat-band ferromagnetism conceived theoretically for a single chain of five membered rings (polyaminotriazole) by Arita {\it et al.}, [Phys. Rev. Lett. {\bf 88}, 127202 (2002)], we have studied whether the magnetism can indeed occur as a bulk, i.e., in a three-dimensional crystal of the polymer, by means of the spin density functional calculation. We find that the intra-chain ferromagnetism is robust against crystallization as far as the flat band is made half-filled. We have further investigated the actual crystal doped with various compounds, where HF$_2$ is shown to put the system close to the bulk ferromagnetism while stronger anions such as BF$_4$ or PF$_6$ should be promising.

cond-mat.str-el↗

arXiv2003

Flat-Band Ferromagnetism in Organic Polymers Designed by a Computer Simulation

By coupling a first-principles, spin-density functional calculation with an exact diagonalization study of the Hubbard model, we have searched over various functional groups for the best case for the flat-band ferromagnetism proposed by R. Arita et al. [Phys. Rev. Lett. {\bf 88}, 127202 (2002)] in organic polymers of five-membered rings. The original proposal (poly-aminotriazole) has turned out to be the best case among the materials examined, where the reason why this is so is identified here. We have also found that the ferromagnetism, originally proposed for the half-filled flat band, is stable even when the band filling is varied away from the half-filling. All these make the ferromagnetism proposed here more experimentally inviting.

cond-mat.mtrl-sci↗

arXiv2003

Electronic properties of metal induced gap states at insulator/metal interfaces -- dependence on the alkali halide and the possibility of excitonic mechanism of superconductivity

Motivated from the experimental observation of metal induced gap states (MIGS) at insulator/metal interfaces by Kiguchi {\it et al.} [Phys. Rev. Lett. {\bf 90}, 196803 (2003)], we have theoretically investigated the electronic properties of MIGS at interfaces between various alkali halides and a metal represented by a jellium with the first-principles density functional method. We have found that, on top of the usual evanescent state, MIGS generally have a long tail on halogen sites with a $p_z$-like character, whose penetration depth ($λ$) is as large as half the lattice constant of bulk alkali halides. This implies that $λ$, while little dependent on the carrier density in the jellium, is dominated by the lattice constant (hence by energy gap) of the alkali halide, where $λ_{\rm LiF} < λ_{\rm LiCl} < λ_{\rm LiI}$. We also propose a possibility of the MIGS working favorably for the exciton-mediated superconductivity.

cond-mat.mtrl-sci↗

arXiv2003

Quantum Monte Carlo study of the pairing symmetry competition in the Hubbard model

To shed light into the pairing mechanism of possible spin-triplet superconductors (TMTSF)$_2$X and Sr$_2$RuO$_4$, we study the competition among various spin singlet and triplet pairing channels in the Hubbard model by calculating the pairing interaction vertex using the ground state quantum Monte Carlo technique. We model (TMTSF)$_2$X by a quarter-filled quasi-one dimensional (quasi-1D) Hubbard model,and the $γ$ band of Sr$_2$RuO$_4$ by a two dimensional (2D) Hubbard model with a band filling of $\sim 4/3$. For the quasi-1D system, we find that triplet $f$-wave pairing not only dominates over triplet p-wave in agreement with the spin fluctuation theory, but also looks unexpectedly competitive against d-wave. For the 2D system, although the results suggest presence of attractive interaction in the triplet pairing channels, the d-wave pairing interaction is found to be larger than those of the triplet channels.

cond-mat.str-el↗

arXiv2003

Electronic properties of alkali-metal loaded zeolites -- a "supercrystal" Mott insulator

First-principles band calculations are performed for the first time for an open-structured zeolite (LTA) with guest atoms (potassium) introduced in their cages. A surprisingly simple band structure emerges, which indicates that this system may be regarded as a "supercrystal", where each cluster of guest atoms with diameter $\sim$10Åacts as a "superatom" with well-defined $s$- and $p$-like orbitals, which in turn form the bands around the Fermi energy. The calculated Coulomb and exchange energies for these states turn out to be in the strongly-correlated regime. With the dynamical mean-field theory we show the system should be on the Mott-insulator side, and, on a magnetic phase diagram for degenerate-orbital systems, around the ferromagnetic regime, in accord with experimental results. We envisage this class of systems can provide a new avenue for materials design.

cond-mat.str-el↗

arXiv2003

Possibility of superconductivity in the repulsive Hubbard model on the Shastry-Sutherland lattice

Possibility of superconductivity from electron repulsion in the Shastry-Sutherland lattice, which has a spin gap at half filling, is explored with the repulsive Hubbard model in the fluctuation-exchange approximation. We find that, while superconductivity is not favored around the half-filling, superconductivity is favored around the quarter-filling. Our results suggest that the Fermi surface nesting is more important than the spin dimerization for superconductivity.

cond-mat.supr-con↗

arXiv2002

Hybridization-induced superconductivity from the electron repulsion on a tetramer lattice having a disconnected Fermi surface

Plaquette lattices with each unit cell containing multiple atoms are good candidates for disconnected Fermi surfaces, which are shown by Kuroki and Arita to be favorable for spin-flucutation mediated superconductivity from electron repulsion. Here we find an interesting example in a tetramer lattice where the structure within each unit cell dominates the nodal structure of the gap function. We trace its reason to the way in which a Cooper pair is formed across the hybridized molecular orbitals, where we still end up with a T_c much higher than usual.

cond-mat.supr-con↗

arXiv2002

Magnetic-field induced triplet superconductivity in the Hubbard model on a triangular lattice

We propose theoretically that a magnetic field can realize spin-triplet superconductivity in repulsively interacting electron systems having strong ferromagnetic spin fluctuations. We confirm the general idea for the low-density Hubbard model on a triangular lattice, whose Fermi surface consists of disconnected pieces, by calculating the pairing susceptibility in a moderate magnetic field with the quantum Monte-Carlo method combined with the dynamical cluster approximation.

cond-mat.str-el↗

arXiv2002

High temperature superconductivity in dimer array systems

Superconductivity in the Hubbard model is studied on a series of lattices in which dimers are coupled in various types of arrays. Using fluctuation exchange method and solving the linearized Eliashberg equation, the transition temperature $T_c$ of these systems is estimated to be much higher than that of the Hubbard model on a simple square lattice, which is a model for the high $T_c$ cuprates. We conclude that these `dimer array' systems can generally exhibit superconductivity with very high $T_c$. Not only $d$-electron systems, but also $p$-electron systems may provide various stages for realizing the present mechanism.

cond-mat.str-el↗

arXiv2002

Superconductivity induced by inter-band nesting in the three-dimensional honeycomb lattice

In order to study whether the inter-band nesting can favor superconductivity arising from electron-electron repulsion in a three-dimensional system, we have looked at the repulsive Hubbard model on a stack of honeycomb (i.e., non-Bravais) lattices with the FLEX method, partly motivated by the superconductivity observed in MgB2. By systematically changing the shape of Fermi surface with varied band filling n and the third-direction hopping, we have found that the pair scattering across the two-bands is indeed found to give rise to gap functions that change sign across the bands and behave as an s- or d-wave within each band. This implies (a) the electron repulsion can assist gapful pairing when a phonon-mechanism pairing exists, and (b) the electron repulsion alone, when strong enough, can give rise to a d-wave-like pairing, which should be, for a group-theoretic reason, a time-reversal broken d+id with point nodes in the gap.

cond-mat.supr-con↗

arXiv2002

Superconductivity in quantum-dot superlattices composed of quantum wire networks

Based on calculations using the local density approximation, we propose quantum wire networks with square and plaquette type lattice structures that form quantum dot superlattices. These artificial structures are well described by the Hubbard model. Numerical analysis reveals a superconducting ground state with transition temperatures $T_c$ of up to 90 mK for the plaquette, which is more than double the value of 40 mK for the square lattice type and is sufficiently high to allow for the experimental observation of superconductivity.

cond-mat.mes-hall↗