English

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, λ\lambda, 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}
}
R2 v1 2026-06-22T16:35:59.257Z