We propose the ultra-fast numerical approach to large-scale inhomogeneous superconductors, which we call the Localized Krylov Bogoliubov-de Gennes method (LK-BdG). In the LK-BdG method, the computational complexity of the local Green's function, which is used to calculate the local density of states and the mean-fields, does not depend on the system size $N$. The calculation cost of self-consistent calculations is ${\cal O}(N)$, which enables us to open a new avenue for treating extremely large systems with millions of lattice sites. To show the power of the LK-BdG method, we demonstrate a self-consistent calculation on the 143806-site Penrose quasicrystal lattice with a vortex and a calculation on 1016064-site two-dimensional nearest-neighbor square-lattice tight-binding model with many vortices. We also demonstrate that it takes less than 30 seconds with one CPU core to calculate the local density of states with whole energy range in 100-millions-site tight-binding model.
In order to incorporate spatial inhomogeneity due to nonmagnetic impurities, Anderson [1] proposed a BCS-type theory in which single-particle states in such an inhomogeneous system are used. We examine Anderson's proposal, in comparison with the Bogoliubov-de Gennes equations, for the attractive Hubbard model on a system with surfaces and impurities. [1] P. W. Anderson, J. Phys. Chem. Solids {\bf 11}, 26 (1959).
Topological defects, such as magnetic-flux-carrying quantum vortices determine the magnetic response of superconductors and hence are of fundamental importance. Here, we show that stable $\mathbb{C}P^2$ skyrmions exist in three-band $s+\rm{i} s$ superconductors as fully self-consistent solutions to a microscopic Bogoluibov-de Gennes model. This allows us to calculate microscopically the magnetic signatures of $\mathbb{C}P^2$ skyrmions and their footprint in the local density of states.
A fundamentally revised version of superconductivity theory has been put forward by the present authors since the standard theory of superconductivity based on the BCS theory cannot explain superconductivity in cuprates discovered in 1986, and reexaminations on several experimental results on the conventional superconductors indicate the necessity for a fundamental revision. The revision is made on the origin of the superconducting phase variable, which is attributed to a Berry connection arising from many-body wave functions. With this revision, the theory can be cast into a particle number c…
A self-consistent Bogoliubov deGennes theory of the vortex lattice state in a 2D strong type-II superconductor at high magnetic fields reveals a novel quantum mixed state around the semiclassical Hc2, characterized by a well-defined Landau--Bloch band structure in the quasi-particle spectrum and suppressed order-parameter amplitude, which sharply crossover into the well-known semiclassical (Helfand-Werthamer) results upon decreasing magnetic field. Application to the 2D superconducting state observed recently on the surface of the topological insulator Sb2Te3, accounts well for the experimenta…
We consider Bogoliubov de Gennes equation on metric graphs. The vertex boundary conditions providing self-adjoint realization of the Bogoliubov de Gennes operator on a metric star graph are derived. Secular equation providing quantization of the energy and the vertex transmission matrix are also obtained. Application of the model for Majorana wire networks is discussed.
We develop a systematic approach for constructing symmetry-based indicators of a topological classification for superconducting systems. The topological invariants constructed in this work form a complete set of symmetry-based indicators that can be computed from knowledge of the Bogoliubov-de Gennes Hamiltonian on high-symmetry points in Brillouin zone. After excluding topological invariants corresponding to the phases without boundary signatures, we arrive at natural generalization of symmetry-based indicators [H. C. Po, A. Vishwanath, and H. Watanabe, Nature Comm. 8, 50 (2017)] to Hamiltoni…
It is shown that the Bogoliubov-de Gennes equations pair the electrons in states which are linear combinations of the normal states. Accordingly, the BCS-like reduction procedure is required to choose a correct pairing. For a homogeneous system, we point out that the kernel of the self-consistency equation derived from the Bogoliubov-de Gennes equations needs to be constrained by the BCS pairing condition. In the presence of ordinary impurities, on the other hand, the Bogoliubov-de Gennes equations should be supplemented by Anderson's pairing condition to obtain the correct vacuum state by the…
We use the Bogoliubov-de Gennes formalism to analyze the ground state phases of harmonically trapped two-species fermion mixtures with unequal masses. In the weakly attracting limit and around unitarity, we find that the superfluid order parameter is spatially modulated around the trap center, and that its global maximum occurs at a finite distance away from the trap center where the mixture is locally unpolarized. As the attraction strength increases towards the molecular limit, the spatial modulations gradually disappear while the Bardeen-Cooper-Schrieffer (BCS) type nonmodulated superfluid …
The applicability of the quasiclassical theory of superconductivity in Josephson multi-layer structures is analyzed. The quasiclassical approach is compared with the exact theory based on the Bogoliubov - de Gennes equation. The angle and energy resolved (coarse-grain) currents are calculated using both techniques. It is shown that the two approaches agree in $SIS'IS''$ geometries after the coarse-grain averaging. A quantitative discrepancy, which exceeds the quasiclassical accuracy, is observed when three or more interfaces are present. The invalidity of the quasiclassical theory is attribute…
Recently the most general static self-consistent multi-soliton solutions in Bogoliubov-de Gennes and chiral Gross-Neveu systems are derived by the present authors [D. A. Takahashi and M. Nitta, Phys. Rev. Lett. 110, 131601 (2013)]. Here we show a few complementary results, which were absent in the previous our work. We prove directly from the gap equation that the self-consistent solutions need to have reflectionless potentials. We also give the self-consistent condition for the system consisting of only right-movers, which is more used in high-energy physics.
We show that the Ginzburg-Landau expansion of the grand potential for the Bogoliubov-de Gennes Hamiltonian is determined by the integrable nonlinear equations of the AKNS hierarchy, and that this provides the natural mathematical framework for a hidden nonlinear quantum mechanical supersymmetry underlying the dynamics.
We derive a new exact self-consistent crystalline condensate in the 1+1 dimensional chiral Gross-Neveu model. This also yields a new exact crystalline solution for the one dimensional Bogoliubov-de Gennes equations and the Eilenberger equation of semiclassical superconductivity. We show that the functional gap equation can be reduced to a solvable nonlinear equation, and discuss implications for the temperature-chemical potential phase diagram.
In this paper, we present a method to construct the eigenspace of the normal-state electrons moving in a 2D square lattice in presence of a perpendicular uniform magnetic field which imposes (quasi)-periodic boundary conditions for the wave functions in the magnetic unit cell. An exact unitary transformations are put forward to correlate the discrete eigenvectors of the 2D electrons with those of the Harper's equation. The cyclic-tridiagonal matrix associated with the Harper's equation is then tridiagonalized by another unitary transformation. The obtained eigenbasis is utilized to expand the …
We derive a nonlinear differential equation for the gap parameter of a superfluid Fermi system by performing a suitable coarse graining of the Bogoliubov-de Gennes (BdG) equations throughout the BCS-BEC crossover, with the aim of replacing the time-consuming solution of the original BdG equations by the simpler solution of this novel equation. We perform a favorable numerical test on the validity of this new equation over most of the temperature-coupling phase diagram, by an explicit comparison with the full solution of the original BdG equations for an isolated vortex. We also show that the n…
We report on the implementation of the Bogoliubov-de Gennes method into the JuKKR code [https: //jukkr.fz-juelich.de], an implementation of the relativistic all-electron, full-potential Korringa-Kohn-Rostoker Green function method, which allows a material-specific description of inhomogeneous super-conductors and heterostructures on the basis of density functional theory. We describe the formalism and report on calculations for the s-wave superconductor Nb, a potential component of the materials platform enabling the realization of the Majorana zero modes in the field of topological quantum co…
We study the superconducting pairing symmetry in twisted bilayer graphene by solving the Bogoliubov-de Gennes equation for all electrons in moiré supercells. With increasing the pairing potential, the system evolves from the mixed nontopological $d+id$ and $p+ip$ phase to the $s+p+d$ phase via the first-order phase transition. In the time-reversal symmetry breaking $d+id$ and $p+ip$ phase, vortex and antivortex lattices accompanying spontaneous supercurrent are induced by the twist. The superconducting order parameter is nonuniform in the moiré unit cell. Nevertheless, the superconducting gap …
We study the time-dependent Bogoliubov--de-Gennes equations for generic translation-invariant fermionic many-body systems. For initial states that are close to thermal equilibrium states at temperatures near the critical temperature, we show that the magnitude of the order parameter stays approximately constant in time and, in particular, does not follow a time-dependent Ginzburg--Landau equation, which is often employed as a phenomenological description and predicts a decay of the order parameter in time. The full non-linear structure of the equations is necessary to understand this behavior.
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. Math. 159, 119 (2003)]. The resultant small-size Hamiltonian contains the information of the original BdG Hamiltonian in a given energy domain. In other words, the present approach leads to a numerical construction of a low-energy effective theory in superconductivity. The combination with the polynomial expansion method allows a self-consistent calculation of the BdG equations. Thr…
We exhaust all exact self-consistent solutions of complex-valued fermionic condensates in the 1+1 dimensional Bogoliubov-de Gennes and chiral Gross-Neveu systems under uniform boundary conditions. We obtain $n$ complex (twisted) kinks, or grey solitons, with $2n$ parameters corresponding to their positions and phase shifts. Each soliton can be placed at an arbitrary position while the self-consistency requires its phase shift to be quantized by $π/N$ for $N$ flavors.
The Bernard-LeClair (BL) symmetry classes generalize the ten-fold way classes in the absence of Hermiticity. Within the BL scheme, time-reversal and particle-hole come in two flavors, and "pseudo-Hermiticity" generalizes Hermiticity. We propose that these symmetries are relevant for the topological classification of non-Hermitian single-particle Hamiltonians and Hermitian bosonic Bogoliubov-de Gennes (BdG) models. We show that the spectrum of any Hermitian bosonic BdG Hamiltonian is found by solving for the eigenvalues of a non-Hermitian matrix which belongs to one of the BL classes. We theref…
We study a Majorana zero-energy state bound to a hedgehog-like point defect in a topological superconductor described by a Bogoliubov-de Gennes (BdG)-Dirac type effective Hamiltonian. We first give an explicit wave function of a Majorana state by solving the BdG equation directly, from which an analytical index can be obtained. Next, by calculating the corresponding topological index, we show a precise equivalence between both indices to confirm the index theorem. Finally, we apply this observation to reexamine the role of another topological invariant, i.e., the Chern number associated with t…
In this paper we report on the results of a numerical study of the nonlinear time-dependent Bardeen--Cooper--Schrieffer (BCS) equations, often also denoted as Bogoliubov--de--Gennes (BdG) equations, for a one-dimensional system of fermions with contact interaction. We show that, even above the critical temperature, the full equations and their linear approximation give rise to completely different evolutions. In contrast to its linearization, the full nonlinear equation does not show any diffusive behavior in the order parameter. This means that the order parameter does not follow a Ginzburg--…
The matrix-generalized Bogoliubov-de Gennes systems have recently been considered by the present author [arXiv:1509.04242, Phys. Rev. B 93, 024512 (2016)], and time-dependent and self-consistent multi-soliton solutions have been constructed based on the ansatz method. In this paper, restricting the problem to the static case, we exhaustively determine the self-consistent solutions using the inverse scattering theory. Solving the gap equation, we rigorously prove that the self-consistent potential must be reflectionless. As a supplementary topic, we elucidate the relation between the stationary…
Topological phases of the Bogoliubov de Gennes Hamiltonian
Institut für Physik, Universität Augsburg（奥格斯堡大学物理研究所）；Physics Department, New York City College of Technology The City University of New York（纽约市立大学纽约城市技术学院物理系）
We investigate the quasiparticle density of states in disordered d-wave superconductors. By constructing a quantum map describing the quasiparticle dynamics in such a medium, we explore deviations of the density of states from its universal form ($\propto E$), and show that additional low-energy quasiparticle states exist provided (i) the range of the impurity potential is much larger than the Fermi wavelength [allowing to use recently developed semiclassical methods]; (ii) classical trajectories exist along which the pair-potential changes sign; and (iii) the diffractive scattering length is …
The chiral Gross-Neveu model or equivalently the linearized Bogoliubov-de Gennes equation has been mapped to the nonlinear Schrödinger (NLS) hierarchy in the Ablowitz-Kaup-Newell-Segur formalism by Correa, Dunne and Plyushchay. We derive the general expression for exact fermionic solutions for all gap functions in the arbitrary order of the NLS hierarchy. We also find that the energy spectrum of the n-th NLS hierarchy generally has n+1 gaps. As an illustration, we present the self-consistent two-complex-kink solution with four real parameters and two fermion bound states. The two kinks can be …
Exact self-consistent soliton dynamics based on the Bogoliubov-de Gennes (BdG) formalism in unconventional Fermi superfluids/superconductors possessing an $SU(d)$-symmetric two-body interaction is presented. The derivation is based on the ansatz having the similar form as the Gelfand-Levitan-Marchenko equation in the inverse scattering theory. Our solutions can be regarded as a multicomponent generalization of the solutions recently derived by Dunne and Thies [Phys. Rev. Lett. 111, 121602 (2013)]. We also propose superpositions of occupation states, which make it possible to realize various fi…
We investigate the evolution of the Josephson and related effects throughout the BCS-BEC crossover, by performing a systematic numerical solution of the (time-independent) Bogoliubov-de Gennes equations at zero temperature in a fully self-consistent fashion. The numerical strategies and algorithms we have adopted are described in detail, with the aim of easing further independent studies. Several results are obtained by the present calculation. The profiles of the magnitude and phase of the gap parameter across the Josephson barrier are determined under a variety of conditions. We find that th…
Calculations of magnetic field produced by spin-vortex-induced loop currents in Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ thin films using the particle-number conserving Bogoliubov-de Gennes formalism
We will extend the concept of electron band Berry curvatures to superconducting materials. We show that this can be defined for the Bogoliubov-de Gennes equation describing the superconducting state in a periodic crystal. In addition, the concept is exploited to understand the driving mechanism for the optical Kerr effect in time reversal symmetry breaking superconductors. Finally, we establish a sum rule analogue to the normal state Hall sum rule making quantitative contact between the imaginary part of the optical conductivity and the Berry curvature. The general theory will be applied and t…
Resonant transport is demonstrated in a hybrid superconductor-semiconductor heterostructure junction grown by molecular beam epitaxy on GaAs. This heterostructure realizes the model system introduced by de Gennes and Saint-James in 1963 [P. G. de Gennes and D. Saint-James, Phys. Lett. {\bf 4}, 151 (1963)]. At low temperatures a single marked resonance peak is shown superimposed to the characteristic Andreev-dominated subgap conductance. The observed magnetotransport properties are successfully analyzed within the random matrix theory of quantum transport, and ballistic effects are included by …
Chiral superconductors from parent states with nonuniform Berry curvature: Momentum-space vortices, Bogoliubov-de Gennes topology, and thermal Hall conductivity
University of Toronto（多伦多大学）；Canadian Institute for Advanced Research（加拿大高等研究院）
The quasiparticle energy spectrum of an isolated vortex in a clean layered d-wave superconductor is calculated. The Bogoliubov--de Gennes equations are solved perturbatively, within the model of step-variation of the gap function, adjusting the Caroli, de Gennes and Matricon approach for low-lying excitations in cuprates. A large peak in the density of states in a "pancake" vortex is found, as a consequence of two-dimensionality and strong coupling.
We study various inhomogeneity effects on superconductivity as due to quantum confinement, surfaces and impurities, using the self-consistent Bogoliubov-de Gennes formalism on the attractive Hubbard model. The results are also compared with those obtained from the Anderson prescription, a BCS formalism for incorporating spatial inhomogeneity.
By solving the Bogoliubov-de Gennes equations for a $d$-wave superconductor, we explore how the interplay between disorder and the orbital depairing of an external magnetic field influences the superconductor-metal transition of the hole-overdoped cuprates. For highly disordered systems, we find granular Cooper paring to persist above the critical field where the superfluid stiffness goes to zero. We also show that because the vortices are attracted to regions where the superconducting pairing is already weak, the Caroli-de Gennes-Matricon zero-bias peak in the local density of states at the v…
We show that the Bogoliubov-de Gennes equations for nuclear ground-state wave functions support solutions in which the condensate has a mixture of spin-singlet and spin-triplet pairing. We find that such mixed-spin condensates do not occur when there are equal numbers of neutrons and protons, but only when there is an isospin imbalance. Using a phenomenological Hamiltonian, we predict that such nuclei may occur in the physical region within the proton dripline. We also solve the Bogoliubov-de Gennes equations with variable constraints on the spin-singlet and spin-triplet pairing amplitudes. Fo…
We investigate the local density of states and the order parameter structure inside an elliptic quantum corral on surfaces of isotropic and anisotropic superconductors. The Bogoliubov-de Gennes equations are solved in the presence of non-magnetic and magnetic impurities. We observe and discuss a variety of mirage and anti-mirage phenomena, which specifically reflect the nature of the superconducting pairing state.
We calculate the s- and d-wave superconductor order parameter in the vicinity of a tilt grain boundary. We do this self-consistently within the Bogoliubov de Gennes equations, using a realistic microscopic model of the grain boundary. We present the first self-consistent calculations of supercurrent flows in such boundaries, obtaining the current-phase characteristics of grain boundaries in both s-wave and d-wave superconductors.
We investigate the electronic properties of type-II superconducting Nb(110) in an external magnetic field. Scanning tunneling spectroscopy reveals a complex vortex shape which develops from circular via coffee bean-shaped to elliptical when decreasing the energy from the edge of the superconducting gap to the Fermi level. This anisotropy is traced back to the local density of states of Caroli-de-Gennes-Matricon states which exhibits a direction-dependent splitting. Oxidizing the Nb(110) surface triggers the transition from the clean to the dirty limit, quenches the vortex bound states, and lea…
We present a simple two-dimensional model of a $p_x+ip_y$ superfluid in which the mass flow that gives rise to the intrinsic angular momentum is easily calculated by numerical diagonalization of the Bogoliubov-de Gennes operator. We find that, at zero temperature and for constant director $\bf l$, the mass flow closely follows the Ishikawa-Mermin-Muzikar formula ${\bf j}_{\rm mass}= \frac 12 {\rm curl} (ρ\hbar {\bf l}/2)$.
We investigate the mutual influence of impurities in two-dimensional d-wave superconductors involving self-consistent solutions of the Bogoliubov-de Gennes equations. The local order parameter suppression, the local density of states (LDOS) as well as the interference of impurity-induced structures are analyzed. We employ an impurity position averaging scheme for the DOS that does not neglect these interference effects, as the commonly used $T$-matrix approaches do.
Making use of the Bogoliubov-de Gennes equation, we study the quasi-particle spectrum and the vortex core structure of a single vortex in quasi 2D s-wave superconductors for small $p_Fξ_0$, where $p_F$ is the Fermi momentum and $ξ_0=v_F/Δ_0$ is the coherence length($\hbar=1$). In particular we find that the number of bound states decreases rapidly for decreasing $p_Fξ_0$. Also for $p_Fξ_0\sim 1$, the Kramer-Pesch effect stops around $T/T_c\simeq 0.3$.
The vortex structure in superconducting stripe states is studied according to the Bogoliubov-de Gennes theory on the two-dimensional Hubbard model with nearest-neighbor sites pairing interaction. The vortex is trapped at the outside region of the stripe line, where the superconductivity is weak. The superconducting coherence length along the stripe direction becomes long. There are no eminent low-energy electronic states even near the vortex core. These characters resemble the Josephson vortex in layered superconductors under a parallel field.
Resonant transport in a hybrid semiconductor-superconductor microstructure grown by MBE on GaAs is presented. This structure experimentally realizes the prototype system originally proposed by de Gennes and Saint-James in 1963 in \emph{all}-metal structures. A low temperature single peak superimposed to the characteristic Andreev-dominated subgap conductance represents the mark of such resonant behavior. Random matrix theory of quantum transport was employed in order to analyze the observed magnetotransport properties and ballistic effects were included by directly solving the Bogoliubov-de Ge…
The Bogoliubov-de Gennes (BdG) equations are solved in the strong-coupling limit, where real-space (preformed) pairs bose-condense with finite center-of-mass momenta. There are two energy scales in this regime, a temperature independent incoherent gap $Δ_p$ and a temperature dependent coherent gap $Δ_c (T)$, modulated in real space. The single-particle density of states (DOS) reveals checkerboard modulations similar to the tunnelling DOS in cuprates.
We found solutions of the Bogoliubov-de Gennes equations for the two-dimensional self-consistent model of superconductors with $d_{x^2-y^2}$ symmetry of the order parameter, taking into account spin and charge distributions. Analytical solutions for spin-charge density wave phases in the absence of the superconductivity ("stripe" and "checkerboard" structures) are presented. Analytical solutions for coexisting superconductivity and stripes are found.
Making use of the Bogoliubov-de Gennes equation for the d-wave superconductors, we investigate the quasi-particle spectrum around a single vortex. Taking $p_Fξ=10$, we found that there are bound states which are localized around the vortex core, and extended states which are rather uniform, for $|E|<Δ$ where $E$ is the quasi-particle energy and $Δ$ is the asymptotic value of the order parameter for away from the vortex.
Within the microscopic Bogoliubov--de Gennes (BdG) formalism an exact quantization condition for Andreev bound states of the ferromagnetic-superconducting hybrid systems of box geometry is derived and a semi-classical formula for the density of states is obtained. The semi-classical formula is shown to agree with the exact result, even when the exchange field $h$, is much larger than the superconductor order parameter, provided $h$ is small compared with the Fermi energy.
We calculate transport properties of disordered 2D d-wave superconductors from solutions of the Bogoliubov-de Gennes equations, and show that weak localization effects give rise to a finite frequency peak in the optical conductivity similar to that observed in experiments on disordered cuprates. At low energies, order parameter inhomogeneities induce linear and quadratic temperature dependencies in microwave and thermal conductivities respectively, and appear to drive the system towards a quasiparticle insulating phase.
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.
We show that the general low-energy Bogoliubov-de Genness Hamiltonian in a multiband superconductor with broken time reversal and preserved inversion symmetry is a generator of real four-dimensional representation of $SO(4)$. In the particular representation such an effective Hamiltonian is a purely imaginary matrix, and it is proportional to the antisymmetric tensor of a fictitious electromagnetic field which one can define in the momentum space. The quantum time evolution of the low-energy quasiparticle state becomes this way closely related to the classical relativistic motion of a charged …
Site-dependent NMR relaxation time $T_1({\bf r})$ is calculated in the vortex state using the Bogoliubov-de Gennes theory, taking account of possible "field-induced stripe'' states in which the magnetism arises locally around a vortex core in d-wave superconductivity. The recently observed huge enhancement $T_1^{-1}({\bf r})$ below $T_c$ at a core site in Tl$_2$Ba$_2$CuO$_6$ is explained. The field-induced stripe picture explains consistently other relevant STM and neutron experiments.
We explore theoretically the novel superfluidity of harmonically-trapped polarized ultracold fermionic atoms in a two-dimensional (2D) optical lattice by solving the Bogoliubov-de Gennes equations. The pairing amplitude is found to oscillate along the radial direction at low particle density and along the angular direction at high density. The former is consistent with the existing experiments and the latter is a newly predicted Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state, which can be tested in experiments.
