First Principles Calculations of Superconducting Critical Temperature of ThCr$_2$Si$_2$-Type Structure
Abstract
High critical temperature (T) superconductor has a great potential in many industrial applications. However, discovering a compound having high T is still remaining a big challenge for experimental approach due to time-consuming and high cost. In this paper, we investigated the critical temperature (T) of several compounds of ThCrSi-type structure (space group I4/mmm) since some of them had already been investigated and trusted as the potential candidates for superconductivity. First principle calculation was performed to compute the critical temperature (T) based on allen-dynes equation modification of McMillian formula. In order to confirm our calculation scheme, we compared our result with compounds which had been experimentally determined obtained from database. The result showed a very good agreement with experimental data. Based on this scheme, finally, we found ThCuSi and ThAuSi which were most likely to exhibit a superconductivity around 3.88 K and 4.27. : superconductivity, ThCrSi-type structure, ThCuSi, ThAuSi, critical temperature
Keywords
Cite
@article{arxiv.1911.10716,
title = {First Principles Calculations of Superconducting Critical Temperature of ThCr$_2$Si$_2$-Type Structure},
author = {Gewinner Senderanto Sinaga and Keishu Utimula and Kousuke Nakano and Kenta Hongo and Ryo Maezono},
journal= {arXiv preprint arXiv:1911.10716},
year = {2024}
}
Comments
The calculations in the manuscript contain several errors. Additionally, the first author is no longer involved in this research, and the revisions have been made by new members and is now considered a completely different project. Therefore, we withdraw this paper and submit it as a new manuscript