Work

Computationally efficient method for calculating electron-phonon coupling for high-throughput superconductivity search

Year: 2024

Type: preprint

Abstract: Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density functional theory (DFT) calculated electronic band structures of phonon modes corresponding to atomic displacements for various materials. We have applied this method to well known conventional superconductors including MgB$_2$, H$_{3}$S and other hydrides as examples.

Source: arXiv (Cornell University)

DOI: 10.48550/arxiv.2405.02519

Authors: Dicks, Oliver A., Foyevtsova, Kateryna, Elfimov, Ilya, Prasankumar, Rohit, Sawatzky, George

Institution: Intellectual Ventures (United States)

Language: English

Topic: Physics of Superconductivity and Magnetism

Subfield: Condensed Matter Physics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W4396715783

Cites:

Cited by: 1

Related to: 10