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This paper presents theoretical and experimental studies on the superconductivity of Pb${_{0.64}}$Bi$_{0.36}$ alloy, which is a prototype of strongly coupled superconductors and exhibits one of the strongest coupling under ambient pressure among the materials studied so far. The critical temperature, the specific heat in the superconducting state, and the magnetic critical fields are experimentally determined. Deviations from the single-gap s-wave BCS-like behavior are observed. The electronic structure, phonons and electron-phonon interactions are analyzed in relation to the metallic Pb, explaining why the Pb-Bi alloy exhibits such a large value of the electron-phonon coupling parameter $\lambda \simeq 2$. Superconductivity is studied using the isotropic Eliashberg formalism as well as the anisotropic density functional theory for superconductors. We find that while Pb is a two-gap superconductor with well-defined separate superconducting gaps, in the Pb-Bi alloy an overlapped three-gap-like structure is formed with a strong anisotropy. Furthermore, the chemical disorder, inherent to this alloy, leads to strong electron scattering, which is found to reduce the critical temperature., Comment: 24 pages, 22 figures + supplemental material. Accepted for publication in Physical Review B

We report the synthesis and characterization of a new compound Mg$_4$Pd$_7$As$_6$, which was found to be a superconductor with $T_c=5.45$~K. Powder X-ray diffraction confirms the U$_4$Re$_7$Si$_6$ structure (space group $Im$-$3m$, no. 229) with the lattice parameter $a$ = 8.2572(1)~\AA. Magnetization, specific heat, and electrical resistivity measurements indicate that it is a moderate-coupling ($\lambda = 0.72$) type-II superconductor. The electronic and phonon structures are calculated, highlighting the importance of antibonding Pd-As interactions in determining the properties of this material. The calculated electron-phonon copling parameter $\lambda = 0.76$ agrees very well with the experimental finding, which confirms the conventional pairing mechanism in Mg$_4$Pd$_7$As$_6$., Comment: 11 pages, 11 figures

Theoretical analysis of the electronic structure of the high-entropy-type superconductor (ScZrNb)$_{1-x}$(RhPd)$_x$, $x \in (0.35, 0.45)$ is presented. The studied material is a partially ordered CsCl-type structure, with two sublattices, randomly occupied by Sc, Zr, Nb (first sublattice) and Nb, Rh, and Pd (second sublattice). Calculations were done using the Korringa-Kohn-Rostoker method with the coherent potential approximation (KKR-CPA) and take into account the substitutional disorder. Our total energy calculations confirm the preference for the partially ordered structure over the fully random {\it bcc}-type one. Electronic densities of states $N(E)$, dispersion relations, and McMillan-Hopfield parameters $\eta$ (electronic contribution to electron-phonon coupling) are studied as a function of composition. The computed increasing trends in $N(E_F)$ and $\eta$ with $x$ are opposite to what we expected based on the experimental results, where the decrease in the critical temperature with increasing $x$ was found. Very strong electron scattering due to disorder is observed, as the electronic dispersion relations are strongly smeared. As a result, the computed electronic lifetimes $\tau$ are very short, leading to a small mean-free path of electrons of the order of interatomic distance, which puts (ScZrNb)$_{1-x}$(RhPd)$_x$ near the Mott-Ioffe-Regel limit. The trend in $\tau(x)$ is similar to the trend observed experimentally in $T_c(x)$, suggesting that disorder may be the factor that influences $T_c$ in this series of alloys., Comment: 13 pages, 12 figures, accepted in Physical Review B

We present the band structure of CeIr$_3$ superconductor calculated within the dynamical mean field theory (DMFT). Standard GGA and GGA+U methods fail to reproduce the experimental electronic specific heat coefficient $\gamma_{\rm expt.}$ due to the underestimated density of states at the Fermi level $N(E_F)$ followed by an overestimated strength of electron-phonon coupling (EPC) calculated as a renormalization of $\gamma_{\rm expt.}$. The DMFT study shows a strong hybridization of $4f$ states of Ce with $5d$-states of Ir, which leads to the larger $N(E_F)$ giving the correct $\gamma_{\rm expt.}$ with a moderate EPC in agreement with the experimental data., Comment: 6 pages, 3 figures, presented at The European Conference PHYSICS OF MAGNETISM 2021 (PM'21), Poznan, Poland

Experimental and theoretical studies on superconductivity in SrIr$_2$ and SrRh$_2$ Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with $T_c$ = 6.07 K and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5$d$ (4$d$) electrons of Ir (Rh), with Sr atoms playing the role of electron donors. The effect of the spin-orbit coupling is analyzed and found to be important in both materials. Lattice dynamics and electron-phonon coupling (EPC) are studied and the strong electron-phonon interaction is found, contributed mostly by the low-frequency Ir and Rh vibrations. The enhancement of EPC when compared to weakly-coupled metallic Ir and Rh is explained by the strong modifications in the propagation of phonons in the network of Ir (Rh) tetrahedrons, which are the building blocks of the Laves phase, and originate from the metallic fcc structures of elemental iridium and rhodium., Comment: 22 pages plus Supplemental Material

Polycrystalline sample of superconducting ThIr$_{3}$ was obtained by arc-melting Th and Ir metals. Powder x-ray diffraction revealed that the compound crystalizes in a rhombohedral crystal structure (R-3m, s.g. no. 166) with the lattice parameters: a = 5.3394(1) $\r{A}$ and c = 26.4228(8) $\r{A}$. Normal and superconducting states were studied by magnetic susceptibility, electrical resistivity and heat capacity measurements. The results showed that ThIr$_{3}$ is a type II superconductor (Ginzburg-Landau parameter $\kappa$ = 38) with the critical temperature T$_{c}$ = 4.41 K. The heat capacity data yielded the Sommerfeld coefficient $\gamma$ = 17.6 mJ mol$^{-1}$ K$^{-2}$ and the Debye temperature $\Theta_{D}$ = 169 K. The ratio $\Delta$C / ($\gamma$ T$_{c}$) = 1.6, where $\Delta$C stands for the specific heat jump at T$_{c}$, and the electron-phonon coupling constant $\lambda_{e-p}$ = 0.74 suggest that ThIr$_{3}$ is a moderate-strength superconductor. The experimental studies were supplemented by band structure calculations, which indicated that the superconductivity in ThIr$_{3}$ is governed mainly by 5d states of iridium. The significantly smaller band-structure value of Sommerfeld coefficient as well as the experimentally observed quadratic temperature dependence of resistivity and enhanced magnetic susceptibility suggest presence of electronic interactions in the system, which compete with superconductivity., Comment: 9 figures, 4 tables