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| Main Authors: | , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2403.06380 |
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| _version_ | 1866911792694820864 |
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| author | Shang, Yue Han, Yifan Wan, Wenhui Liu, Yong Ge, Yanfeng |
| author_facet | Shang, Yue Han, Yifan Wan, Wenhui Liu, Yong Ge, Yanfeng |
| contents | In the present work, the three stable MXenes M n+1 C n O 2 (M=Nb,Ta) are explored based onfirst-principles calculations. These materials are important derivatives of 2D materials and exhib-it distinctive properties, holding vast potential in nanodevices. All these M n+1 C n O 2 (M=Nb,Ta)materials exhibit outstanding superconducting performance, with corresponding superconductingtransition temperatures of 23.00K, 25.00K, and 29.00K. Analysis reveals that the high supercon-ducting transition temperatures of MXenes M n+1 C n O 2 (M=Nb,Ta) are closely associated with thehigh value of the logarithmic average of phonon frequencies, ω log , and the strong electron-phononcoupling (EPC), attributed to the crucial contribution of low-frequency phonons. Additionally, weapplied strain treatments of 2% and 4% to M n+1 C n O 2 (M=Nb,Ta), resulting in varying changes insuperconducting transition temperatures under different strains. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2403_06380 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | First-principles study of two-dimensional transition metal carbide M n+1 C n O 2(M=Nb,Ta) Shang, Yue Han, Yifan Wan, Wenhui Liu, Yong Ge, Yanfeng Superconductivity In the present work, the three stable MXenes M n+1 C n O 2 (M=Nb,Ta) are explored based onfirst-principles calculations. These materials are important derivatives of 2D materials and exhib-it distinctive properties, holding vast potential in nanodevices. All these M n+1 C n O 2 (M=Nb,Ta)materials exhibit outstanding superconducting performance, with corresponding superconductingtransition temperatures of 23.00K, 25.00K, and 29.00K. Analysis reveals that the high supercon-ducting transition temperatures of MXenes M n+1 C n O 2 (M=Nb,Ta) are closely associated with thehigh value of the logarithmic average of phonon frequencies, ω log , and the strong electron-phononcoupling (EPC), attributed to the crucial contribution of low-frequency phonons. Additionally, weapplied strain treatments of 2% and 4% to M n+1 C n O 2 (M=Nb,Ta), resulting in varying changes insuperconducting transition temperatures under different strains. |
| title | First-principles study of two-dimensional transition metal carbide M n+1 C n O 2(M=Nb,Ta) |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2403.06380 |