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Register a new userSuperconducting pairing mediated by spin-fluctuations from first principles
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We present the derivation of an ab-initio and parameter free effective electron-electron interaction that goes beyond the screened RPA and accounts for superconducting pairing driven by spin-fluctuations. The construction is based on many body perturbation theory and relies on the approximation of the exchange-correlation part of the electronic self-energy within time dependent density functional theory. This effective interaction is included in an exchange correlation kernel for superconducting density functional theory, in order to achieve a completely parameter free superconducting gap equation. First results from applying the new functional to a simplified two-band electron gas model are consistent with experiments.
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Recent $mu$SR measurements revealed that spontaneous magnetism exists in the superconducting state of rhenium and it also appears in other rhenium based materials like Re$_6$Zr, Re$_6$Hf, Re$_6$Ti. The superconducting state of these materials show $s$-wave-like properties and the pairing mechanism is most likely driven by electron-phonon coupling. In this paper we take elemental rhenium as a testbed and investigate its ground state. By developing an LCAO formalism for the solution of the spin-generalized Bogoliubov-de Gennes equation we use every details of the first-principles band-structure together with spin-orbit coupling. In this paper we provide a possible explanation of the spontaneous time-reverseal symmetry breaking in the superconducting ground state of rhenium by arguing that taking into account the orbital degrees of freedom, spin-orbit coupling is inducing even-parity odd-orbital spin triplet Cooper pairs, and Cooper pairs migration between the equal-spin triplet states may lower the total energy. We show how magnetism emerges and the structure of the gap changes as a function of the triplet component of the interaction strength.
We study the superconductivity in typical $d$-band elemental superconductors V and Nb with the recently developed non-empirical computational scheme based on the density functional theory for superconductors. The effect of ferromagnetic fluctuation (paramagnon) on the superconducting transition temperature ($T_{rm c}$), which in principle suppress the $s$-wave superconducting pairing, is quantified without any empirical parameter. We show that the strong paramagnon effect cancels the $T_{rm c}$-enhancing effects of the phonon-mediated pairing and dynamical screened Coulomb interaction.
We present a self-consistent real space formulation of spin-fluctuation mediated d-wave pairing. By calculating all relevant inhomogeneous spin and charge susceptibilities in real space within the random phase approximation (RPA), we obtain the effective pairing interaction and study its spatial dependence near both local potential and hopping impurities. A remarkably large enhancement of the pairing interaction may be obtained near the impurity site. We discuss the relevance of our result to inhomogeneities observed by scanning tunneling spectroscopy on the surface of cuprate superconductors.
The possibility of non-s-wave superconductivity induced by phonons is investigated using a simple model that is inspired by Sr$_2$RuO$_4$. The model assumes a two-dimensional electronic structure, a two-dimensional spin-fluctuation spectrum, and three-dimensional electron-phonon coupling. Taken separately, each interaction favors formation of spin-singlet pairs (of s symmetry for the phonon interaction and d$_{x^2-y^2}$ symmetry for the spin interaction), but in combination, a variety of more unusual singlet and triplet states are found, depending on the interaction parameters. This may have important implications for Sr$_2$RuO$_4$, providing a plausible explanation of how the observed spin fluctuations, which clearly favor d$_{x^2-y^2}$ pairing, may still be instrumental in creating a superconducting state with a different (e.g., p-wave) symmetry. It also suggests an interpretation of the large isotope effect observed in Sr$_2$RuO$_4$. These results indicate that phonons could play a key role in establishing the order-parameter symmetry in Sr$_2$RuO$_4$, and possibly in other unconventional superconductors.
In the present paper, the impact of small Fermi energy on the selected parameters of the superconducting state in Ba$_{1-x}$K$_{x}$BiO$_{3}$ (BKBO) is studied at $x in (0.3, 0.4, 0.5)$. This is done by employing the adiabatic and non-adiabatic Eliashberg equations in context of the available experimental data. It is found that the retardation, strong-coupling and the non-adiabatic effects notably influence superconducting phase in BKBO. In particular, the electron-electron interaction, approximated here by the Coulomb pseudopotential, is argued to be reduced by the non-adiabatic effects that supplement retardation and allow for the phonon-mediated superconductivity. These findings are reinforced by further analysis of the isotope effect showing reduction of the isotope coefficient with respect to the canonical Bardeen-Cooper-Schrieffer (BCS) level, as caused by the interplay of all effects mentioned above. Although physics behind the isotope effect appears to be complex, its resulting behavior comply with the scenario for the conventional superconductors. In summary, obtained results confirm recent theoretical and experimental studies that suggest phonon-mediated mechanism of superconductivity in BKBO. However, they also point out that this phase cannot be properly described with the BCS theory due to the existence of somewhat unusual effects.
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