25–26 Feb 2025
IFIN-HH/ ELI-NP Training Center
Europe/Bucharest timezone

Coputational evaluation of phonons and critical temperatures in superconductors

26 Feb 2025, 11:15
15m
IFIN-HH/ ELI-NP Training Center

IFIN-HH/ ELI-NP Training Center

Speaker

Iulia Maria Zai (Target Laboratory)

Description

Metallic hydrides have become popular in recent years among theoretical as well as experimental physics due to their exhibition of superconductivity at or near room temperature [1,2]. The superconducting transition temperature (Tc) of such materials can be determined by electron-phonon calculations, that requires extensive computational resources. Computational simulations can allow to determine which particular hydride system and structure might show high temperature superconducting properties. Moreover, a vast majority of hydride structures are meta-stable under pressure, which makes exhaustive and accurate theoretical investigation of this kind of materials even more challenging. This work presents an alternative way to study new high- and low-Tc superconductors using the ELK code with a set of input parameters tested on experimentally known superconductors and then proceeding to search and screen CrxHy and PdH systems for experimentally relevant and reliable superconductive properties. 1. Shipley, Alice M., et al. "High-throughput discovery of high-temperature conventional superconductors." Physical Review B 104.5 (2021): 054501. 2. Duan, Defang, et al. "Structure and superconductivity of hydrides at high pressures." National Science Review 4.1 (2017): 121-135.

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