<i>Ab initio</i>theory of superconductivity. II. Application to elemental metals

Marques, Miguel A. L.; Lüders, M.; Lathiotakis, N. N.; Profeta, G.; Floris, Andrea; Fast, Lars; Continenza, A.; Gross, E. K. U.; Massidda, S.

doi:10.1103/physrevb.72.024546

Cited by 311 publications

(283 citation statements)

References 43 publications

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“…Hence, the sign change of the gap function is the way Coulomb renormalization happens in SCDFT [18,70]. Note that the sign change of the gap happens far away from the Fermi level.…”

Section: B Discussion Of the Sf Contributionmentioning

confidence: 96%

“…In general, the gap function shows a typical form, being constant close to the Fermi level, followed by an extremum and a decay for larger energies [18,71]. By decreasing the value of κ the Coulomb contribution starts to influence the results.…”

Section: B Discussion Of the Sf Contributionmentioning

confidence: 99%

“…The function nk is known to have a strong dependence on the nk [18]. The remaining k-space structure, however, is often of little importance, especially within topologically connected Fermi surface portions [15].…”

Section: A Isotropic Approximation and The Two-band Model With A Sf mentioning

confidence: 99%

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Superconducting pairing mediated by spin fluctuations from first principles

et al. 2014

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We present the derivation of an ab initio and parameter-free effective electron-electron interaction that goes beyond the screened random phase approximation 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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“…Hence, the sign change of the gap function is the way Coulomb renormalization happens in SCDFT [18,70]. Note that the sign change of the gap happens far away from the Fermi level.…”

Section: B Discussion Of the Sf Contributionmentioning

confidence: 96%

Section: B Discussion Of the Sf Contributionmentioning

confidence: 99%

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Superconducting pairing mediated by spin fluctuations from first principles

et al. 2014

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“…In 2005, this DFT framework was extended to explicitly taking care of the phonon-mediated attractive interaction 59 and it has been applied to many superconductors 26,[60][61][62][63][64] . In order to perform these calculations for actual superconductors, it is necessary to provide a concrete form for F xc [n, χ].…”

Section: Applicationsmentioning

confidence: 99%

Theory of Superconductivity in Graphite Intercalation Compounds

Takada

2011

Comprehensive Semiconductor Science and Technology

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On the basis of the model that was successfully applied to KC8, RbC8, and CsC8 in 1982, we have calculated the superconducting transition temperature Tc for CaC6 and YbC6 to find that the same model reproduces the observed Tc in those compounds as well, indicating that it is a standard model for superconductivity in the graphite intercalation compounds with Tc ranging over three orders of magnitude. Further enhancement of Tc well beyond 10 K is also predicted. The present method for calculating Tc from first principles is compared with that in the density functional theory for superconductors, with paying attention to the feature of determining Tc without resort to the concept of the Coulomb pseudopotential µ * .

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“…3 (c)) for 130GPa, 180GPa, 190GPa and 200GPa, respectively. Electron-phonon coupling strength, electronelectron screened Coulomb interaction, and theoretical Tc on top of them were calculated with the state-of-the-art first principles scheme [45][46][47][48][49]. The resulting values of Tc are indicated by four-fold star in Fig.…”

Section: Introductionmentioning

confidence: 99%

Emergent Magnéli-type crystal phases and their mixture in pressurized sulfur hydride

Akashi¹,

Sano²,

Arita³

et al. 2017

Novel Superconducting Materials

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Abstract:The pressure-induced superconductivity in sulfur hydride has recently received tremendous amount of interest for its record-breaking transition temperature (Tc) of 203 K. We extensively discuss an infinite sequence of metastable structures of sulfur hydride under high pressure which has been recently proposed theoretically [R. Akashi et al., Phys. Rev. Lett. 117, 075503 (2016)]. The newly found structures are understood as the stacked layers of H 2 S and H 3 S, showing close similarity to the Magnéli phases formed in transition-metal oxides. The possible emergence of the "HxS Magnéli" phases are discussed as intermediate metastable phases in the formation of the high-Tc H 3 S phase. Superconducting transition temperatures and the Xray diffraction patterns are simulated with the first-principles calculations. It is demonstrated that the HxS Magnéli phases could serve as the silver bullet to explain the complicated dependences of the observed Tcs and diffraction patterns on the experimental protocol.

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Ab initiotheory of superconductivity. II. Application to elemental metals

Cited by 311 publications

References 43 publications

Superconducting pairing mediated by spin fluctuations from first principles

Superconducting pairing mediated by spin fluctuations from first principles

Theory of Superconductivity in Graphite Intercalation Compounds

Emergent Magnéli-type crystal phases and their mixture in pressurized sulfur hydride

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