Eliashberg theory with ab-initio Coulomb interactions: a minimal numerical scheme applied to layered superconductors. (1st April 2022)

• Record Type: Journal Article
• Authors: Pellegrini, Camilla; Heid, Rolf; Sanna, Antonio
• Is Part Of: JPhys materials. Volume 5:Number 2(2022)
• Publication Date: 2022-04-01
• Subjects: Eliashberg -- Coulomb interactions -- 2D superconductors; Solid state physics -- Periodicals; Materials science -- Periodicals; 530.41
• DOI: 10.1088/2515-7639/ac6041
• Languages: English
• ISSNs: 2515-7639

Abstract

Abstract: We present a minimal approach to include static Coulomb interactions in Eliashberg theory of superconductivity from first principles. The method can be easily implemented in any existing Eliashberg code (isotropic or anisotropic) to avoid the standard use of the semiempirical parameter μ ∗, which adds unnecessary uncertainty to T c predictions. We evaluate the prediction accuracy of the method by simulating the superconducting properties of a set of layered superconductors, which feature unconventional Coulomb effects: CaC6, MgB2, Li-doped β -ZrNCl and YNi2 B2 C. We find that the estimated critical temperatures are consistent with those from ab-initio density functional theory for superconductors, and in close agreement with the experimental values.