MISC

2019年11月25日

First Principles Calculations of Superconducting Critical Temperature of ThCr$_2$Si$_2$-Type Structure

  • Gewinner Senderanto Sinaga
  • ,
  • Keishu Utimula
  • ,
  • Kousuke Nakano
  • ,
  • Kenta Hongo
  • ,
  • Ryo Maezono

記述言語
掲載種別
機関テクニカルレポート,技術報告書,プレプリント等

High critical temperature (T$_c$) superconductor has a great potential in<br />
many industrial applications. However, discovering a compound having high T$_c$<br />
is still remaining a big challenge for experimental approach due to<br />
time-consuming and high cost. In this paper, we investigated the critical<br />
temperature (T$_c$) of several compounds of ThCr$_2$Si$_2$-type structure<br />
(space group I4/mmm) since some of them had already been investigated and<br />
trusted as the potential candidates for superconductivity. First principle<br />
calculation was performed to compute the critical temperature (T$_c$) based on<br />
allen-dynes equation modification of McMillian formula. In order to confirm our<br />
calculation scheme, we compared our result with compounds which had been<br />
experimentally determined obtained from $NIMS$ database. The result showed a<br />
very good agreement with experimental data. Based on this scheme, finally, we<br />
found ThCu$_2$Si$_2$ and ThAu$_2$Si$_2$ which were most likely to exhibit a<br />
superconductivity around 3.88 K and 4.27.<br />
$keywords$ : superconductivity, ThCr$_2$Si$_2$-type structure,<br />
ThCu$_2$Si$_2$, ThAu$_2$Si$_2$, critical temperature

リンク情報
arXiv
http://arxiv.org/abs/arXiv:1911.10716
URL
http://arxiv.org/abs/1911.10716v1

エクスポート
BibTeX RIS