TY - JOUR
T1 - Combining Eliashberg Theory with Density Functional Theory for the Accurate Prediction of Superconducting Transition Temperatures and Gap Functions
AU - Sanna, A.
AU - Pellegrini, C.
AU - Gross, E. K.U.
N1 - Publisher Copyright:
© 2020 authors. Published by the American Physical Society. Open access publication funded by the Max Planck Society.
PY - 2020/7/31
Y1 - 2020/7/31
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85089532570&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.125.057001
DO - 10.1103/PhysRevLett.125.057001
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C2 - 32794891
AN - SCOPUS:85089532570
SN - 0031-9007
VL - 125
JO - Physical Review Letters
JF - Physical Review Letters
IS - 5
M1 - 057001
ER -