Efficient method to calculate the electron-phonon coupling constant and superconducting transition temperature
Superconductivity
2017-10-11 v1
Abstract
We show an efficient way to compute the electron-phonon coupling constant, , and the superconducting transition temperature, Tc from first-principles calculations. This approach gives rapid convergence of Tc with respect to the size of the k-point mesh, and is seamlessly connected to the formulation used in large molecular systems such as alkali fullerides where momentum dependence can be neglected. Since the phonon and electron-phonon calculations are time consuming particularly in complicated systems, the present approach will strongly reduce the computational cost, which facilitates high-throughput superconducting material design.
Keywords
Cite
@article{arxiv.1610.09441,
title = {Efficient method to calculate the electron-phonon coupling constant and superconducting transition temperature},
author = {Takashi Koretsune and Ryotaro Arita},
journal= {arXiv preprint arXiv:1610.09441},
year = {2017}
}