Higgs-mode resonance in third harmonic generation in NbN superconductors: multiband electron-phonon coupling, impurity scattering, and polarization-angle dependence
We theoretically investigate the resonance of third harmonic generation (THG) that has been observed at frequency being half of the superconducting gap in a multiband disordered superconductor NbN. The central question is whether the dominant contribution to the THG resonance comes from the Higgs mode (the collective amplitude mode of the superconducting order parameter) or quasiparticle excitations. To resolve this issue, we analyze a realistic three-band model with effective intraband and interband phonon-mediated interactions estimated from first-principles together with nonmagnetic impurity scatterings. Using the estimated pairing interactions with multiband impurity scattering rates being varied from clean to dirty regimes, we calculate the THG susceptibility for NbN in a channel-resolved manner by means of the BCS and self-consistent Born approximations. In the dirty regime, which is close to the experimental situation, the leading contribution is given by the paramagnetic channel of the Higgs mode having almost no polarization-angle dependence, while the second leading contribution comes from the paramagnetic channel of quasiparticles generally showing significant polarization-angle dependence. The result is consistent with the recent experimental observation of no polarization-angle dependence of THG, giving firm evidence that the Higgs mode dominantly contributes to the THG resonance in NbN superconductors.
A single impurity problem is investigated for multiband s-wave superconductors with different sign order parameters (+-s-wave superconductors) suggested in Fe-pnictide superconductors. Not only intraband but also interband scattering is considered at the impurity. The latter gives rise to impurity-induced local boundstates close to the impurity. We present an exact form of the energy of the local boundstates as a function of strength of the two types of impurity scattering. The essential role of the impurity is unchanged in finite number of impurities. The main conclusions for a single impurit…
We examine the effect of a single, non-magnetic impurity in a multiband, extended s-wave superconductor allowing for anisotropy of the gaps on the Fermi surfaces. We derive analytic expressions for the Green's functions in the continuum and analyse the conditions for the existence of sharp impurity-induced resonant states. Underlying band structure is more relevant for the multiband than for single band case, and mismatch between the bands generically makes the formation of the impurity states less likely in the physical regime of parameters. We confirm these conclusions by numerically solving…
A reentrant temperature dependence of the thermoresistivity $ρ_{\mathrm{xx}}(T)$ between an onset local superconducting ordering temperature $T_\mathrm{loc}^\mathrm{onset}$ and a global superconducting transition at $T=T_\mathrm{glo}^\mathrm{offset}$ has been reported in disordered conventional 3-dimensional (3D) superconductors. The disorder of these superconductors is a result of either an extrinsic granularity due to grain boundaries, or of an intrinsic granularity ascribable to the electronic disorder originating from impurity dopants. Here, the effects of Fe doping on the electronic prope…
A short review of the optical and far-infrared measurements on MgB$_{2}$ is given. Multiband and multigap effects are analyzed by comparing optical properties with other experiments and {\em ab initio} calculations. The covered topics are: the plasma frequency, electron-phonon interaction, impurity scattering, the effects of C and Al substitution, interband transitions and the far-infrared signatures of the superconducting gaps.
In a superconductor the third-harmonic generation (THG) of a strong THz pulse is enhanced below Tc by the resonant excitation of lattice-modulated charge fluctuations (LCF), which modulate the response according to the polarization of the field. Here we compute the THG within a multiband model for the prototype NbN superconductor. We show that the non-resonant contribution coming from the instantaneous electronic response and the finite width of the pulse significantly suppress the polarization dependence of the signal, challenging its observation in real systems.
We study inelastic (dynamical) impurity scattering effects in two-band superconductors with the same ($s_{++}$ wave) or different ($s_\pm$ wave) sign order parameters. We focus on the enhancement of the superconducting transition temperature $T_{\rm c}$ by magnetic interband scattering with the interchange of crystal-field singlet ground and multiplet excited states. Either the $s_{++}$-wave or $s_\pm$-wave state is favored by the impurity-mediated pairing, which depends on the magnetic and nonmagnetic scattering strengths derived from the hybridization of the impurity states with the conducti…
We investigate effects of disorder on the density of states, the single particle response function and optical conductivity in multiband superconductors with s_{+-} symmetry of the order parameter, where s_{+-} -> s_{++} transition may take place. In the vicinity of the transition the superconductive gapless regime is realized. It manifests itself in anomalies in the above mentioned properties. As a result, intrinsically phase-insensitive experimental methods like ARPES, tunneling and terahertz spectroscopy may be used for revealing of information about the underlying order parameter symmetry.
The impurity effects on the transition temperature Tc and the isotope effect are examined in multiband superconductors with magnetic and nonmagnetic impurities, where the effect of Coulomb repulsion is considered. It is shown that an internal transition of the superconducting state is induced by impurity doping, and that the transition is accompanied by a jump of the isotope-effect coefficient alpha. In particular, the transition is illustrated in a system with two electron bands. In some special cases, extended Abrikosov and Gor'kov (AG) equations for Tc and the expressions of the isotope-eff…
Multiband superconductivity with dominant two-gap features are recently proposed to challenge the earlier accepted nodal $d$-wave pairing in the first unconventional superconductor CeCu$_{2}$Si$_{2}$. Here we obtain multiband Fermi-surface topology of CeCu$_{2}$Si$_{2}$ via first-principles calculations, and study the problem within an effective two hybridization band model including detailed band-structure. Within T-matrix approximation, our calculations reveal that different pairing candidates could yield qualitatively distinct features characterised by impurity-induced bound states. Except …
We consider the effect of isotropic impurity scattering on the exotic superconducting states that arise from the usual BCS mechanism in substances of cubic and hexagonal symmetry where the Fermi surface contains inequivalent but degenerate pockets (e.g. around several points of high symmetry). As examples we look at CeCo$_2$, CeRu$_2$, and LaB$_6$; all of which have such Fermi surface topologies and the former exhibits unconventional superconducting behavior. We find that while these non s-wave states are suppressed by non-magnetic impurities, the suppression is much weaker than would be expec…
We report the results of an ab initio modeling of substitutional impurities such as zinc, copper and zirconium ions incorporated into the magnesium sublattice of MgB2. The goal of computational studies was to gain an atomistic understanding of how the structural and bonding properties of the local ionic environment are affected by a change in the host cation. The simulations performed for the given set of substituents indicate that at a low doping level, the induced lattice distortions and additional forces are noticeable small. At the same time, the electron redistributions around the impurit…
We analyze how the magnetic disorder affects the properties of the two-band $s_\pm$ and $s_{++}$ models, which are subject of hot discussions regarding iron-based superconductors and other multiband systems like MgB$_2$. We show that there are several cases when the transition temperature $T_c$ is not fully suppressed by magnetic impurities in contrast to the Abrikosov-Gor'kov theory, but a saturation of $T_c$ takes place in the regime of strong disorder. These cases are: (1) the purely interband impurity scattering, (2) the unitary scattering limit. We show that in the former case the $s_\pm$…
We study the role of impurities in a two-band superconductor, and elucidate the nature of the recently predicted transition from s_{+-} state to s_{++} state induced by interband impurity scattering. Using a Ginzburg-Landau theory, derived from microscopic equations, we demonstrate that close to T_c this transition is necessarily a direct one, but deeper in the superconducting state an intermediate complex state appears. This state has a distinct order parameter, which breaks the time-reversal symmetry, and is separated from the s_{+-} and s_{++} states by phase transitions. Based on our resul…
In multiband superconductors, multiple collective modes exist associated with the multiple order parameters. Oscillations of the amplitude and the relative phase of the order parameters are called Higgs and Leggett modes, respectively. Recently, it has been suggested that nonmagnetic impurity scattering would enhance nonlinear coupling between the Higgs mode and an electromagnetic wave with a frequency located in the superconducting gap region, while its effect on the Leggett mode is still unresolved. Here, we theoretically investigated the nonlinear optical response of multiband Bardeen-Coope…
The results of first principles calculations of the electronic structure and the electron-phonon interaction in MgB2 are used to study theoretically the temperature dependence and anisotropy of the magnetic field penetration depth. The effects of impurity scattering are essential for a proper description of the experimental results. We compare our results with experimental data and we argue that the two-band model describes the data rather well.
Magnetic properties of dirty multiband superconductors near the upper critical field are studied. The parameter $κ_2$ characterizing magnetization slope is shown to have a significant temperature variation which is quite sensitive to the pairing interactions and relative strengths of intraband impurity scattering. In contrast to single-band superconductors the increase of $κ_2$ at low temperatures can be arbitrary large determined by the ratio of minimal and maximal diffusion coefficients in different bands. Temperature dependencies of $κ_2(T)$ in two-band MgB$_2$ and iron-based superconductor…
Recently, a test for a sign-changing gap function in a candidate multiband unconventional superconductor involving quasiparticle interference data was proposed. The test was based on the antisymmetric, Fourier transformed conductance maps integrated over a range of momenta $\bf q$ corresponding to interband processes, which was argued to display a particular resonant form, provided the gaps changed sign between the Fermi surface sheets connected by $\bf q$. The calculation was performed for a single impurity, however, raising the question of how robust this measure is as a test of sign-changin…
We study the dependence of the superconducting gaps on both the disorder and the temperature within the two-band model for iron-based materials. In the clean limit, the system is in the $s_\pm$ state with the sign-changing gaps. Scattering by nonmagnetic impurities leads to the change of sign of the smaller gap thus resulting in a transition from the $s_{\pm}$ to the $s_{++}$ state with the sign-preserving gaps. We show here that the transition is temperature-dependent, thus, there is a line of $s_\pm \to s_{++}$ transition in the temperature-disorder phase diagram. There exists a narrow range…
We present theoretical analysis of the normal state resistivity in multiband superconductors in the framework of Eliashberg theory. The results are compared with measurements of the temperature dependence of normal state resistivity of high-purity Ba$_{0.68}$K$_{0.32}$Fe$_{2}$As$_{2}$ single crystals with the highest reported transition temperature $T_c$ = 38.5 K. The experimental data demonstrate strong deviations from the Bloch-Grüneisen behavior, namely the tendency to saturation of the resistivity at high temperatures. The observed behavior of the resistivity is explained within the two ba…
We have investigated the in-gap bound states (IGBS) induced by a single nonmagnetic impurity in multiband superconductors with incipient bands. Contrary to the naive expectation, we found that even if the superconducting (SC) order parameter is sign-preserving s-wave on the Fermi surfaces, the incipient bands may still affect the appearance and locations of the IGBS, although the gap between the incipient bands and the Fermi level is much larger than the SC gap. Therefore in scanning tunneling microscopy experiments, the IGBS induced by a single nonmagnetic impurity are not the definitive evid…
The optical conductivity of MgB$_2$ has been determined on a dense polycrystalline sample in the spectral range 6 meV - 4.6 eV using a combination of ellipsometric and normal incidence reflectivity measurements. $σ_{1}(ω)$ features a narrow Drude peak with anomalously small plasma frequency (1.4 eV) and a very broad "dome" structure, which comprises the bulk of the low-energy spectral weight. This fact can be reconciled with the results of band structure calculations by assuming that charge carriers from the 2D $σ$-bands and the 3D $π$-bands have principally different impurity scattering rates…
Magnetic superconductors define a broad class of strongly correlated materials in which superconductivity may coexist with either localized or itinerant long-range magnetic order. In this work we consider a multiband model of a disordered magnetic superconductor which realizes coexistence of unconventional superconductivity and a spin-density-wave. We derive an exact $T$-matrix and compute a single particle density of states in this system. In a purely superconducting state the interband scattering potential leads to an appearance of the localized Yu-Shiba-Rusinov bound states. Our main findin…
In multiband systems, such as iron-based superconductors, the superconducting states with locking and anti-locking of the interband phase differences, are usually considered as mutually exclusive. For example, a dirty two-band system with interband impurity scattering undergoes a sharp crossover between the $s_{\pm}$ state (which favors phase anti locking) and the $s_{++}$ state (which favors phase locking). We discuss here that the situation can be much more complex in the presence of an external field or superconducting currents. In an external applied magnetic field, dirty two-band supercon…
We further investigate a class of time-reversal-invariant two-band s-wave topological superconductors introduced in Phys. Rev. Lett. 108, 036803 (2012). We show how, in the presence of time-reversal symmetry, Z_2 invariants that distinguish between trivial and non-trivial quantum phases can be constructed by considering only one of the Kramers' sectors in which the Hamiltonian decouples into. We find that the main features identified in our original 2D setting remain qualitatively unchanged in 1D and 3D, with non-trivial topological superconducting phases supporting an odd number of Kramers' p…
Thermal conductivity and specific heat were measured in the superconducting state of the heavy fermion material Ce_{1-x}La_{x}CoIn_{5}. With increasing impurity concentration x, the suppression of T_{c} is accompanied by the increase in the residual electronic specific heat expected of a d-wave superconductor, but it occurs in parallel with a decrease in residual electronic thermal conductivity. This contrasting behavior reveals the presence of uncondensed electrons coexisting with nodal quasiparticles. An extreme multiband scenario is proposed, with a d-wave superconducting gap on the heavy-e…
Although the pairing mechanism of the Fe-based superconductors (FeSCs) has not yet been settled with a consensus, as to the pairing symmetry and the superconducting (SC) gap function, the abundant majority of experiments are supporting for the spin-singlet sign-changing s-wave SC gaps on multibands ($s^{\pm}$-wave state). This multiband $s^{\pm}$-wave state is a very unique gap state {\it per se} and displays numerous unexpected novel SC properties such as a strong reduction of the coherence peak, non-trivial impurity effects, nodal-gap-like nuclear magnetic resonance (NMR) signals, various Vo…
The case of a Feshbach shape resonance in the pairing mechanism for high T c superconductivity in a crystalline lattice of doped metallic nanotubes is described. The superlattice of doped metallic nanotubes provides a superconductor with a strongly asymmetric gap. The disparity and different spatial locations of the wave functions of electrons in different subbands at the Fermi level should suppress the single electron impurity interband scattering giving multiband superconductivity in the clean limit. The Feshbach resonances will arise from the component single-particle wave functions out of …
The possibility is indicated of applying the theory of superconductors with overlapping energy bands to describe the thermodynamic and electromagnetic properties of the high-temperature compounds $La_{2-x}(Ba,Sr)_xCuO_4$ and $YBa_2Ci_3O_{7-δ}$. The two-band model was used to obtain high values of $T_c$, two energy gaps $2Δ_1/T_c > 3.5$ and $2Δ_2/T_c < 3.5$, large negative values of $d\ln T_c/d\ln V$ ($V$ is the volume) in lanthanum ceramics, small values of the jump in the electron heat capacity at $T=T_c$, negative curvature of the upper critical magnetic field $H_{c2}$ near the transition te…
