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We present the results of a crystal structure determination using neutron powder diffraction as well as the superconducting properties of the rare-earth sesquicarbide La2C3 (Tc ~ 13.4 K) by means of specific heat and upper critical field measurements. From the detailed analysis of the specific heat and a comparison with ab-initio electronic structure calculations, a quantitative estimate of the electron-phonon coupling strength and the logarithmic average phonon frequency is made. The electron-phonon coupling constant is determined to lambda ~ 1.35. The electron-phonon coupling to low energy phonon modes is found to be the leading mechanism for the superconductivity. Our results suggest that La2C3 is in the strong coupling regime, and the relevant phonon modes are La-related rather than C-C stretching modes. The upper critical field shows a clear enhancement with respect to the Werthamer-Helfand-Hohenberg prediction, consistent with strong electron-phonon coupling. Possible effects on the superconducting properties due to the noncentrosymmetry of the crystal structure are discussed.
Linear response methods are applied to identify the increase in electron-phonon coupling in elemental yttrium that is responsible for its high superconducting critical temperature Tc, which reaches nearly 20 K at 115 GPa. While the evolution of the band structure and density of states is smooth and seemingly modest, there is strong increase in the 4d content of the occupied conduction states under pressure. We find that the transverse mode near the L point of the fcc Brillouin zone, already soft at ambient pressure, becomes unstable (in harmonic approximation) at a relative volume V/Vo=0.60 (P ~ 42 GPa). The coupling to transverse branches is relatively strong at all high symmetry zone boundary points X, K, and L. Coupling to the longitudinal branches is not as strong, but extends over more regions of the Brillouin zone and involves higher frequencies. Evaluation of the electron-phonon spectral function $alpha^2F(omega)$ shows a very strong increase with pressure of coupling in the 2-7 meV range, with a steady increase also in the 7-20 meV range. These results demonstrates strong electron-phonon coupling in this system that can account for the observed range of Tc.
We present a combined density-functional-perturbation-theory and inelastic neutron scattering study of the lattice dynamical properties of YNi2B2C. In general, very good agreement was found between theory and experiment for both phonon energies and line widths. Our analysis reveals that the strong coupling of certain low energy modes is linked to the presence of large displacements of the light atoms, i.e. B and C, which is unusual in view of the rather low phonon energies. Specific modes exhibiting a strong coupling to the electronic quasiparticles were investigated as a function of temperature. Their energies and line widths showed marked changes on cooling from room temperature to just above the superconducting transition at Tc = 15.2 K. Calculations simulating the effects of temperature allow to model the observed temperature dependence qualitatively.
Among hundreds of spinel oxides, LiTi2O4 (LTO) is the only one that exhibits superconductivity (Tc ~13 K). Although the general electron-phonon coupling is still the main mechanism for electron pairing in LTO, unconventional behaviors such as the anomalous magnetoresistance, anisotropic orbital/spin susceptibilities, etc. reveal that both the spin and the orbital interactions should also be considered for understanding the superconductivity. Here, we investigate tunneling spectra of [111]-, [110]- and [001]-oriented high quality LTO thin films. Several bosonic modes in tunneling spectra are observed in the [111]- and [110]-oriented films but not in [001]-oriented ones, and these modes still exist at T = 2Tc and beyond the upper critical field, which are confirmed as stemming from electron-phonon interaction by DFT calculations. These modes only appear in special surface orientations, indicating that the electron-phonon coupling in LTO system is highly anisotropic and may be enhanced by orbital-related state. The anisotropic electron-phonon coupling should be taken seriously in understanding the nature of LTO superconductivity.
The title compound is investigated by specific heat measurements in the normal and superconducting state supplemented by upper critical field transport, susceptibility and magnetization measurements. From a detailed analysis including also full potential electronic structure calculations for the Fermi surface sheets, Fermi velocities and partial densities of states the presence of both strong electron-phonon interactions and considerable pair-breaking has been revealed. The specific heat and the upper critical field data can be described to first approximation by an effective single band model close to the clean limit derived from a strongly coupled predominant hole subsystem with small Fermi velocities. However, in order to account also for Hall-conductivity and thermopower data in the literature, an effective general two-band model is proposed. This two-band model provides a flexible enough frame to describe consistently all available data within a scenario of phonon mediated s-wave superconductivity somewhat suppressed by sizeable electron-paramagnon or electron-electron Coulomb interaction. For quantitative details the relevance of soft phonons and of a van Hove type singularity in the electronic density of states near the Fermi energy is suggested.
The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperature superconductivity of such systems results from extremely strong coupling to only ~2% of the phonon modes. Novel characteristics of E_2g branches include (1) ``mode lambda values of 25 and greater compared to a mean of $sim 0.4$ for other modes, (2) a precipitous Kohn anomaly, and (3) E_2g phonon linewidths within a factor of ~2 of the frequency itself, indicating impending breakdown of linear electron-phonon theory. This behavior in borne out by recent inelastic x-ray scattering studies of MgB2 by Shukla et al.