First Principles Calculations of Superconducting Critical Temperature of ThCr$_2$Si$_2$-Type Structure
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arXiv
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| Autores principales: | , , , , |
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| Formato: | Preprint |
| Publicado: |
2019
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| Materias: | |
| Acceso en línea: | |
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| _version_ | 1866909400104435712 |
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| author | Sinaga, Gewinner Senderanto Utimula, Keishu Nakano, Kousuke Hongo, Kenta Maezono, Ryo |
| author_facet | Sinaga, Gewinner Senderanto Utimula, Keishu Nakano, Kousuke Hongo, Kenta Maezono, Ryo |
| contents | High critical temperature (T$_c$) superconductor has a great potential in many industrial applications. However, discovering a compound having high T$_c$ 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$_c$) of several compounds of ThCr$_2$Si$_2$-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$_c$) 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 $NIMS$ database. The result showed a very good agreement with experimental data. Based on this scheme, finally, we found ThCu$_2$Si$_2$ and ThAu$_2$Si$_2$ which were most likely to exhibit a superconductivity around 3.88 K and 4.27.
$keywords$ : superconductivity, ThCr$_2$Si$_2$-type structure, ThCu$_2$Si$_2$, ThAu$_2$Si$_2$, critical temperature |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_1911_10716 |
| institution | arXiv |
| publishDate | 2019 |
| record_format | arxiv |
| spellingShingle | First Principles Calculations of Superconducting Critical Temperature of ThCr$_2$Si$_2$-Type Structure Sinaga, Gewinner Senderanto Utimula, Keishu Nakano, Kousuke Hongo, Kenta Maezono, Ryo Superconductivity High critical temperature (T$_c$) superconductor has a great potential in many industrial applications. However, discovering a compound having high T$_c$ 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$_c$) of several compounds of ThCr$_2$Si$_2$-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$_c$) 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 $NIMS$ database. The result showed a very good agreement with experimental data. Based on this scheme, finally, we found ThCu$_2$Si$_2$ and ThAu$_2$Si$_2$ which were most likely to exhibit a superconductivity around 3.88 K and 4.27. $keywords$ : superconductivity, ThCr$_2$Si$_2$-type structure, ThCu$_2$Si$_2$, ThAu$_2$Si$_2$, critical temperature |
| title | First Principles Calculations of Superconducting Critical Temperature of ThCr$_2$Si$_2$-Type Structure |
| topic | Superconductivity |
| url | https://arxiv.org/abs/1911.10716 |