Combining Eliashberg Theory with Density Functional Theory for the Accurate Prediction of Superconducting Transition Temperatures and Gap Functions

A. Sanna, C. Pellegrini, E. K.U. Gross

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

We propose a practical alternative to Eliashberg equations for the ab initio calculation of superconducting transition temperatures and gap functions. Within the recent density functional theory for superconductors, we develop an exchange-correlation functional that retains the accuracy of Migdal's approximation to the many-body electron-phonon self-energy, while having a simple analytic form. Our functional is based on a parametrization of the Eliashberg self-energy for a superconductor with a single Einstein frequency, and enables density functional calculations of experimental excitation gaps. By merging electronic structure methods and Eliashberg theory, the present approach sets a new standard in quality and computational feasibility for the prediction of superconducting properties.

Original languageAmerican English
Article number057001
JournalPhysical Review Letters
Volume125
Issue number5
DOIs
StatePublished - 31 Jul 2020

Bibliographical note

Publisher Copyright:
© 2020 authors. Published by the American Physical Society. Open access publication funded by the Max Planck Society.

Fingerprint

Dive into the research topics of 'Combining Eliashberg Theory with Density Functional Theory for the Accurate Prediction of Superconducting Transition Temperatures and Gap Functions'. Together they form a unique fingerprint.

Cite this