Yuki Nagai

Yuki Nagai
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Yuki Nagai

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Physics - Superconductivity (46)
Physics - Strongly Correlated Electrons (5)
Physics - Mesoscopic Systems and Quantum Hall Effect (4)
Quantum Physics (1)
Physics - Soft Condensed Matter (1)
Physics - Materials Science (1)
Computer Science - Computer Vision and Pattern Recognition (1)
Physics - Disordered Systems and Neural Networks (1)

Publications Authored By Yuki Nagai

The recently-introduced self-learning Monte Carlo method is a general-purpose numerical method that speeds up Monte Carlo simulations by training an effective model to propose uncorrelated configurations in the Markov chain. We implement this method in the framework of continuous time Monte Carlo method with auxiliary field in quantum impurity models. We introduce and train a diagram generating function (DGF) to model the probability distribution of auxiliary field configurations in continuous imaginary time, at all orders of diagrammatic expansion. Read More

Deep neural networks have recently achieved significant progress. Sharing trained models of these deep neural networks is very important in the rapid progress of researching or developing deep neural network systems. At the same time, it is necessary to protect the rights of shared trained models. Read More

We perform self-consistent studies of two-dimensional (2D) $s$-wave topological superconductivity (TSC) with Rashba spin-orbit coupling and Zeeman field by solving the Bogoliubov-de Gennes equations. In particular, we examine the effects of a nonmagnetic impurity in detail and show that the nature of the spin-polarised midgap bound state varies significantly depending on the material parameters. Most notably, a nonmagnetic impurity in a 2D $s$-wave topological superconductor can act like a magnetic impurity in a conventional $s$-wave superconductor, leading to phase transitions of the ground state as the impurity potential is varied. Read More

We show that spontaneous breaking of topological protection in a superconducting state can induce another superconducting order. The topologically-protected gapless bound states are gapped when the symmetry that defines the topology is broken. We self-consistently solve the Bogoliubov-de Gennes (BdG) equations and the gap equations in a d-wave nanoisland. Read More

We propose the reduced-shifted Conjugate-Gradient (RSCG) method, which is numerically efficient to calculate a matrix element of a Green's function defined as a resolvent of a Hamiltonian operator, by solving linear equations with a desired accuracy. This method does not calculate solution vectors of linear equations but does directly calculate a matrix element of the resolvent. The matrix elements with different frequencies are simultaneously obtained. Read More

We study the vortex lattice in a two-dimensional s-wave topological superconductor with Rashba spin-orbit coupling and Zeeman field by solving the Bogoliubov-de Gennes equations self-consistently for the superconducting order parameter. We find that when spin-orbit coupling is relatively weak, one of the two underlying chiralities in the topological superconducting state can be strongly manifest in the vortex core structure and govern the response of the system to vorticity and a nonmagnetic impurity where the vortex is pinned. The Majorana zero mode in the vortex core is found to be robust against the nonmagnetic impurity in that it remains effectively a zero-energy bound state regardless of the impurity potential strength and the major chirality. Read More

We study the temperature dependence of nuclear magnetic relaxation (NMR) rates to detect a sign of topological superconductivity in doped topological insulators, such as $M$($=$Cu,Nb,Sr)$_{x}$Bi$_{2}$Se$_{3}$ and Sn$_{1-x}$In$_{x}$Te. The Hebel-Slichter coherence effect below a critical temperature Tc depends on the superconducting states predicted by a minimal model of doped topological insulators. In a nodal anisotropic topological state similar to the ABM-phase in $^{3}$He, the NMR rate has a conventional $s$-wave like coherence peak below Tc. Read More

Unconventional superconductivity is characterized by the spontaneous symmetry breaking of the macroscopic superconducting wavefunction in addition to the gauge symmetry breaking, such as rotational-symmetry breaking with respect to the underlying crystal-lattice symmetry. Particularly, superconductivity with spontaneous rotational-symmetry breaking in the wavefunction amplitude and thus in bulk properties, not yet reported previously, is intriguing and can be termed "nematic" superconductivity in analogy to nematic liquid-crystal phases. Here, based on specific-heat measurements of the single-crystalline Cu$_x$Bi$_2$Se$_3$ under accurate magnetic-field-direction control, we report thermodynamic evidence for nematic superconductivity, namely, clear two-fold-symmetric behavior in a trigonal lattice. Read More

We show that a critical temperature Tc for spin-singlet two-dimensional superconductivity is enhanced by a cooperation between the Zeeman magnetic field and the Rashba spin-orbit coupling, where a superconductivity becomes topologically non-trivial below Tc. The dynamical mean field theory (DMFT) with the segment-based hybridization-expansion continuous-time quantum Monte Carlo impurity solver (ct-HYB) is used for accurately evaluating a critical temperature, without any Fermion sign problem. A strong-coupling approach shows that spin-flip driven local pair hopping leads to part of this enhancement, especially effects of the magnetic field. Read More

We numerically investigate the electronic structures around a vortex core in a bilayer superconducting system, with s-wave pairing, Rashba spin-orbit coupling and Zeeman magnetic field, with use of the quasiclassical Green's function method. The Bardeen-Cooper-Schrieffer (BCS) phase and the so-called pair-density wave (PDW) phase appear in the temperature-magnetic-field phase diagram in a bulk uniform system [Phys. Rev. Read More

We study the excitation spectra and the wave functions of quasiparticle bound states at a vortex and an edge in bilayer Rashba superconductors under a magnetic field. In particular, we focus on the quasiparticle states at the zero energy in the pair-density wave state in a topologically non-trivial phase. We numerically demonstrate that the quasiparticle wave functions with zero energy are localized at both the edge and the vortex core if the magnetic field exceed the critical value. Read More

We investigate the bulk orbital angular momentum (AM) in a two-dimensional hole-doped topological superconductor (SC) which is composed of a hole-doped semiconductor thin film, a magnetic insulator, and an $s$-wave SC and is characterized by the Chern number $C = -3$. In the topological phase, $L_z/N$ is strongly reduced from the intrinsic value by the non-particle-hole-symmetric edge states as in the corresponding chiral $f$-wave SCs when the spin-orbit interactions (SOIs) are small, while this reduction of $L_z/N$ does not work for the large SOIs. Here $L_z$ and $N$ are the bulk orbital AM and the total number of particles at zero temperature, respectively. Read More

We construct a low-energy effective theory of topological $s$-wave pairing superconductors, focusing on the mean-field model of superconductor $\mbox{Cu}_{x}\mbox{Bi}_{2}\mbox{Se}_{3}$. Our approach is second-order perturbation with respect to the inverse of the mass (i.e. Read More

We propose the general multi-band quasiclassical Eilenberger theory of superconductivity to describe quasiparticle excitations in inhomogeneous systems. With the use of low-energy projection matrix, the $M$-band quasiclassical Eilenberger equations are systematically obtained from $N$-band Gor'kov equations. Here $M$ is the internal degrees of freedom in the bands crossing the Fermi energy and $N$ is the degree of freedom in a model. Read More

We study antimony doping effects in the iron-based superconductor CaFe(Sb$_{x}$As$_{1-x}$)$_{2}$ by using the first-principle calculation. The calculations reveal that the substitution of the doped antimony atom into As of the chainlike As layers is more stable than that in FeAs layers. This prediction can be checked by experiments. Read More

We reveal that three-dimensional multi-orbital topological superconductivity can be identified by a bulk measurement, i.e., the temperature dependence of nuclear magnetic relaxation (NMR) rates. Read More

We investigate the bulk orbital angular momentum in a two-dimensional time-reversal broken topological superconductor with the Rashba spin-orbit interaction, the Zeeman interaction, and the $s$-wave pairing potential. Prior to the topological phase transition, we find the crossover from $s$ wave to $p$ wave. For the large spin-orbit interaction, even in the topological phase, $L_z/N$ does not reach $-1/2$, which is the intrinsic value in chiral $p$-wave superconductors. Read More

We numerically show that the zero-energy Majorana surface states are suppressed around a vortex in the three-dimensional topological superconductors such as Cu$_{x}$Bi$_{2}$Se$_{3}$ and Sn$_{1-x}$In$_{x}$Te. On the other hand, the zero-energy Majorana bound states along the vortex line are robust against cut by the surface. The suppression of the surface bound states is similar to that with a magnetic impurity on the surface of the topological insulator. Read More

We study the robustness against non-magnetic impurities in the topological superconductor with point nodes, focusing on an effective model of Cu$_{x}$Bi$_{2}$Se$_{3}$. We find that the topological superconductivity with point-nodes is not fragile against non-magnetic impurities, although the superconductivity with nodes in past studies is usually fragile. Exchanging the role of spin with the one of orbital, and vice versa, we find that in the "dual" space the topological superconductor with point-nodes is regarded as the intra-orbital spin-singlet $s$-wave one. Read More

We numerically study the electronic structure of a single vortex in two dimensional superconducting bilayer systems within the range of the mean-field theory. The lack of local inversion symmetry in the system is taken into account through the layer dependent Rashba spin-orbit coupling. The spatial profiles of the pair potential and the local quasiparticle density of states are calculated in the clean spin-singlet superconductor on the basis of the quasiclassical theory. Read More

We study the quasiparticle spectrum of 2D topological $s$-wave superconductors with the Zeeman magnetic field and the Rashba spin-orbit coupling in the presence of spatial inhomogeneity. Solving the real-space Bogoliubov-de Gennes equations, we focus on the excitations within the superconducting gap amplitude, i.e. Read More

We have studied the superconducting Si(111)-(root7xroot3)-In surface using a 3He-based low-temperature scanning tunneling microscope (STM). Zero-bias conductance (ZBC) images taken over a large surface area reveal that vortices are trapped at atomic steps after magnetic fields are applied. The crossover behavior from Pearl to Josephson vortices is clearly identified from their elongated shapes along the steps and significant recovery of superconductivity within the cores. Read More

We study the quasiparticle excitations around a single vortex in the superconducting topological insulator Cu$_{x}$Bi$_{2}$Se$_{3}$, focusing on a superconducting state with point nodes. Inspired by the recent Knight shift measurements, we propose two ways to detect the positions of point nodes, using an explicit formula of the density of states with Kramer-Pesch approximation in the quasiclassical treatment. The zero-energy local density of states around a vortex parallel to the $c$-axis has a twofold shape and splits along the nodal direction with increasing energy; these behaviors can be detected by the scanning tunneling microscopy. Read More

Unconventional features in superconductivity are revealed by responses to impurity scattering. We study non-magnetic impurity effects in a three-dimensional topological superconductor, focusing on an effective model (massive Dirac Hamiltonian with s-wave on-site pairing) of Copper-doped bismuth-selenium compounds. Using a self-consistent T-matrix approach for impurity scattering, we examine in-gap states in density of states. Read More

Impurity effects are probes for revealing an unconventional property in superconductivity. We study effects of non-magnetic impurities, in a 2D topological superconductor with s-wave pairing, the Rashba spin-orbit coupling, and the Zeeman term. Using a self-consistent T-matrix approach, we calculate a phenomenological formula for the Thouless-Kohmoto-Nightingale-Nijs (TKNN) invariant in interacting systems, as well as density of states, with different magnetic fields. Read More

We numerically study the effect of non-magnetic impurities on the vortex bound states in noncentrosymmetric systems. The local density of states (LDOS) around a vortex is calculated by means of the quasiclassical Green's function method. We find that the zero energy peak of the LDOS splits off with increasing the impurity scattering rate. Read More

We have constructed a quasiclassical framework on superconductors with strong spin-orbit couplings, applicable to CuxBi2Se3[Y. Nagai, H. Nakamura, and M. Read More

We construct a quasiclassical framework for topological superconductors with the strong spin-orbit coupling such as CuxBi2Se3. In the manner of the quasiclassical treatment, decomposing the slowly varying component from the total quasi-particle wave function, the original massive Dirac Bogoliubov-de Gennes (BdG) Hamiltonian derived from the tight-binding model represented by 8 x 8 matrix is reduced to 4 x 4 one. The resultant equations are equivalent to Andreev-type equations of singlet or triplet superconductors, in which the apparent spin-orbit coupling vanishes. Read More

We theoretically investigate the applied magnetic field-angle dependence of the flux-flow resistivity $\rho_{\rm f}(\alpha_{\rm M})$ for an uniaxially anisotropic Fermi surface. $\rho_{\rm f}$ is related to the quasiparticle scattering rate $\varGamma$ inside a vortex core, which reflects the sign change in the superconducting pair potential. We find that $\rho_{\rm f}(\alpha_{\rm M})$ is sensitive to the sign-change in the pair potential and has its maximum when the magnetic field is parallel to the gap-node direction. Read More

We theoretically investigate the quasiparticle scattering rate $\varGamma$ inside a vortex core in the existence of non-magnetic impurities distributed randomly in a superconductor. We show that the dependence of $\varGamma$ on the magnetic field direction is sensitive to the sign of the pair potential. The behavior of $\varGamma$ is quite different between an s-wave and a d-wave pair potential, where these are assumed to have the same amplitude anisotropy, but a sign change only for the d-wave one. Read More

We theoretically investigate the magnetic-field-angle dependence of the flux-flow resistivity $\rho_{\rm f}$ in unconventional superconductors. Two contributions to $\rho_{\rm f}$ are considered: one is the quasiparticle (QP) relaxation time $\tau(\bm{k}_{\rm F})$ and the other is $\omega_0(\bm{k}_{\rm F})$, which is a counterpart to the interlevel spacing of the QP bound states in the quasiclassical approach. Here, $\bm{k}_{\rm F}$ denotes the position on a Fermi surface. Read More

We theoretically study the dependence of the quasiparticle (QP) scattering rate $\varGamma$ on the uniaxial anisotropy of a Fermi surface with changing the magnetic field angle $\alpha_{\rm M}$. We consider the QP scattering due to the non-magnetic impurities inside a single vortex core. The field-angle dependence of the quasiparticle scattering rate $\varGamma(\alpha_{\rm M})$ is sensitive to the sign-change of the pair potential. Read More

We numerically investigate the effect of in-plane anisotropic Fermi surface (FS) on the flux-flow resistivity $\rho_{\rm f}$ under rotating magnetic field on the basis of the quasiclassical Green's function method. We demonstrate that one can detect the phase in pairing potential of Cooper pair through the field-angular dependence of $\rho_{\rm f}$ even if the FS has in-plane anisotropy. In addition, we point out one can detect the gap-node directions irrespective of the FS anisotropy by measuring $\rho_{\rm f}$ under rotating field. Read More

We propose a fast and efficient approach for solving the Bogoliubov-de Gennes (BdG) equations in superconductivity, with a numerical matrix-size reduction procedure proposed by Sakurai and Sugiura [J. Comput. Appl. Read More

We theoretically study a non-magnetic impurity effect on the vortex bound states of a multi-quantum vortex. The zero-energy peak of the local density of states is investigated for vortex cores with the winding numbers 2 and 4 within the framework of the quasiclassical theory of superconductivity. We find that the zero-energy peaks, which appear away from the vortex center in the clean limit, move towards the vortex center with increasing the impurity scattering rate, resolving a contradiction between an experimental result and previous theoretical predictions. Read More

We reveal that Majorana bound states inside the vortex core in an odd-parity topological superconductivity classified as "pseudo-scalar" type in the gap function are distinctly spin-polarized by solving the massive Dirac Bogoliubov-de Gennes (BdG) equation considering the spin-orbit coupling. This result is universal for "Dirac superconductivity" whose rotational degree of freedom is characterized by the total angular momentum J = S + L and in marked contrast to the spin-degeneracy of the core bound states as the consequence of the conventional BdG equation. The spin-polarized vortex core can be easily detected by spin-sensitive probes such as the neutron scattering and other measurements well above the first critical magnetic field H_{c1}. Read More

In a promising candidate of topological superconductors, CuxBi2Se3, we propose a way to exclusively determine the pairing symmetry. The proposal suggests that the angle dependence of the thermal conductivity in the basal ab-plane shows a distinct strong anisotropy only when the pairing symmetry is an odd-parity spin-polarized triplet below the superconducting transition temperature (Tc). Such striking isotropy breaking below Tc is explicitly involved in Dirac formalism for superconductors, in which the spin-orbit coupling is essential. Read More

We demonstrate an efficient numerical method for obtaining unique solutions to the Eilenberger equation for a mesoscopic or nanoscale superconductor. In particular, we calculate the local density of states of a circular d-wave island containing a single vortex. The "vortex shadow" effect is found to strongly depend on the quasiparticle energy in such small systems. Read More

We propose a way to determine the pairing state of the iron pnictide superconductors exploiting the momentum (Q) scan of the neutron scattering data. We investigate the spin susceptibility in the s+- and s++ superconducting states for various doping levels using the effective five-orbital model and considering the quasiparticle damping. The peak position of the intensity shifts from the position on the line Qx = pi to that on the line Qy = 0 as the doping level is decreased from electron doping to hole doping. Read More

Recently, Onari and Kontani submitted a paper [arXiv:1105.6233] which criticizes our recent theoretical study [arXiv:1103.0586] on the neutron scattering experiment as a probe for determining the superconducting gap in the iron pnictides. Read More

We propose an efficient numerical algorithm to solve Bogoliubov de Gennes equations self-consistently for inhomogeneous superconducting systems with a reformulated polynomial expansion scheme. This proposed method is applied to typical issues such as a vortex under randomly distributed impurities and a normal conducting junction sandwiched between superconductors. With various technical remarks, we show that its efficiency becomes remarkable in large-scale parallel performance. Read More

We perform large-scale numerical calculations self-consistently solving the Bogoliubov-de Gennes (BdG) equations in the magnetic field together with random impurities to directly demonstrate the typical quasi-particle interference (QPI) in the presence of vortices as observed by scanning tunneling microscopy/spectroscopy experiments in unconventional superconductors. The calculations reveal that vortex itself never works as a scatter causing the QPI pattern but vortex core containing impurity brings about the enhancement of the sign-preserving QPI peaks. Its origin is Andreev bound-states distorted by impurity, and all the measurement findings are consistently explained by the scenario based on the numerical results. Read More

We calculate the spin susceptibility in the s_{+-} and s_{++} superconducting states of the iron pnictides using the effective five orbital model and considering the quasiparticle damping. For the experimentally evaluated magnitude of the quasiparticle damping and the superconducting gap, the results at the wave vector ~ (pi,0) show that the s_{+-} state is more consistent with the neutron scattering experiments, while for larger quasiparticle damping and the superconducting gap, the s_{++} state can be more consistent. To distinguish between two cases that reproduce the experiments at the wave vector ~ (pi,0), we propose to investigate experimentally the wave vector ~ (pi,pi). Read More

We calculate angle-dependent heat capacity in a low magnetic field range on the basis of Kramer-Pesch approximation together with an electronic structure obtained by first-principles calculations to determine a superconducting gap function of (TMTSF)2ClO4 through its comparisons with experiments. The present comparative studies reveal that a nodal d-wave gap function consistently explains the experimental results for (TMTSF)2ClO4. Especially, it is emphasized that the observed unusual axis-asymmetry of the angle-dependence eliminates the possibility of s-wave and node-less d-wave functions. Read More

We study the impurity effects on the transition temperature Tc with use of the T-matrix approximation. We propose a way to visualize the multi-orbital effect by introducing the hybridization function characterizing the multi-orbital effect for the impurity scattering. Characterizing function does not depend on the superconducting pairing symmetry, since this function is defined by the eigenvectors in normal states. Read More

We report results of microwave surface impedance measurements of LiFeAs single crystals. The in-plane penetration depth depends on temperature exponentially at low temperatures, which strongly suggests that this material has the nodeless superconducting gap. The temperature dependence of the superfluid density indicates that LiFeAs is a multi-gap superconductor with at least two isotropic gaps. Read More

We theoretically discuss the magnetic-field-angle dependence of the zero-energy density of states (ZEDOS) in superconductors. Point-node and line-node superconducting gaps on spherical and cylindrical Fermi surfaces are considered. The Doppler-shift (DS) method and the Kramer-Pesch approximation (KPA) are used to calculate the ZEDOS. Read More

We discuss the surface Andreev bound states in Fe-based superconductors with the use of an effective five-band model and investigate the surface-angle dependence of the tunneling spectroscopy by a quasiclassical approach for an isotropic and an anisotropic /pm s-wave gap superconductivity. We show that information on the normal state is important for the Andreev bound state and its peak positions do not depend on the gap amplitude anisotropy. Read More

We investigate the impurity scattering rates for quasi-particles in vortex cores of sign-reversing s-wave superconductors as a probe to detect the internal phase difference of the order parameters among different Fermi surfaces. The impurity scattering rates and coherence factors are related to quasiparticle interference effect by the scanning tunneling microscopy and spectroscopy technique. With use of the Born and Kramer-Pesch approximations for the Andreev bound states, we show that the sign-reversed forward scatterings are dominant in vortex cores. Read More

Graphene exhibits zero-gap massless-Dirac fermion and zero density of states at E = 0. These particles form localized states called edge states on finite width strip with zigzag edges at E = 0. Naively thinking, one may expect that current is also concentrated at the edge, but Zarbo and Nikolic numerically obtained a result that the current density shows maximum at the center of the strip. Read More