Single layer clathrane: A potential superconducting two-dimensional (2D) hydrogenated metal borocarbide
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arXiv
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| Autores principales: | , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866915540568637440 |
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| author | Wang, Xiaoyu Pickett, Warren E. Julian, Matthew N. Prasankumar, Rohit P. Zurek, Eva |
| author_facet | Wang, Xiaoyu Pickett, Warren E. Julian, Matthew N. Prasankumar, Rohit P. Zurek, Eva |
| contents | We propose a new family of two-dimensional (2D) metal-borocarbide clathrane superconductors, derived from three-dimensional (3D) MM$^\prime$B$_6$C$_6$ clathrates. First-principles calculations reveal that hydrogen passivation and surface metal decoration stabilize the M$_2$M$^\prime$B$_8$C$_8$H$_8$ monolayers. These 2D systems exhibit tunable superconductivity governed by hole concentration, structural anisotropy, and electron-phonon coupling. We find that in-plane anisotropy competes with superconductivity, reducing \tc\ despite favorable doping. Biaxial strain mitigates this anisotropy, enhances Fermi surface nesting, and increases \tc\ by an average of 15.5~K. For example, the \tc\ of Sr$_3$B$_8$C$_8$H$_8$ is predicted to increase from 11.3~K to 22.2~K with strain engineering. These findings identify 2D clathranes as promising, strain-tunable superconductors and highlight design principles for optimizing low-dimensional superconducting materials. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2508_14371 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Single layer clathrane: A potential superconducting two-dimensional (2D) hydrogenated metal borocarbide Wang, Xiaoyu Pickett, Warren E. Julian, Matthew N. Prasankumar, Rohit P. Zurek, Eva Superconductivity Mesoscale and Nanoscale Physics Materials Science We propose a new family of two-dimensional (2D) metal-borocarbide clathrane superconductors, derived from three-dimensional (3D) MM$^\prime$B$_6$C$_6$ clathrates. First-principles calculations reveal that hydrogen passivation and surface metal decoration stabilize the M$_2$M$^\prime$B$_8$C$_8$H$_8$ monolayers. These 2D systems exhibit tunable superconductivity governed by hole concentration, structural anisotropy, and electron-phonon coupling. We find that in-plane anisotropy competes with superconductivity, reducing \tc\ despite favorable doping. Biaxial strain mitigates this anisotropy, enhances Fermi surface nesting, and increases \tc\ by an average of 15.5~K. For example, the \tc\ of Sr$_3$B$_8$C$_8$H$_8$ is predicted to increase from 11.3~K to 22.2~K with strain engineering. These findings identify 2D clathranes as promising, strain-tunable superconductors and highlight design principles for optimizing low-dimensional superconducting materials. |
| title | Single layer clathrane: A potential superconducting two-dimensional (2D) hydrogenated metal borocarbide |
| topic | Superconductivity Mesoscale and Nanoscale Physics Materials Science |
| url | https://arxiv.org/abs/2508.14371 |