ThCr$_2$Si$_2$型结构超导临界温度的第一性原理计算
超导电性
2024-11-26 v2
摘要
高临界温度(T)超导体在许多工业应用中具有巨大潜力。然而，由于耗时和高成本，通过实验方法发现高T化合物仍是一项重大挑战。本文研究了若干ThCrSi型结构(空间群I4/mmm)化合物的临界温度(T)，因为其中一些已被研究并被视为超导的潜在候选者。基于McMillian公式的Allen-Dynes方程修正，采用第一性原理计算临界温度(T)。为确认我们的计算方案，我们将结果与来自数据库的已通过实验确定的化合物进行比较。结果显示与实验数据非常吻合。基于该方案，我们最终发现ThCuSi和ThAuSi最有可能分别在约3.88 K和4.27 K表现出超导性。关键词：超导性，ThCrSi型结构，ThCuSi，ThAuSi，临界温度
引用
@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}
}
备注
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