Superconductivity in Janus IV-B transition metal chalcogenide hydrides
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866917821343072256 |
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| author | Seeyangnok, Jakkapat Pinsook, Udomsilp Ackland, Graeme John |
| author_facet | Seeyangnok, Jakkapat Pinsook, Udomsilp Ackland, Graeme John |
| contents | Two-dimensional Janus transition-metal chalcogenide -hydrides (2D-JTMCs) feature a three layered structure, with a central layer of transition metal atoms, with chalcogenides below and hydogens above. This asymmetry endows 2D-JTMCs with unique and tunable electronic, optical, and mechanical properties. In this paper, we systematically investigate two-dimensional hexagonal 2H and 1T Janus transition metal chalcogenide (JTMC) hydrides (MXH), with M = Ti, Zr, Hf, and X = S, Se, Te. These JTMCs exhibit metallic behavior with single band crossings at the Fermi level, primarily dominated by transition metal d orbitals and phonon stability, evidenced by DFPT calculations. We estimate Tc using the Allen-Dynes formula and the closing superconducting gap by solving anisotropic gap equations of the Migdal-Eliashberg equations. Calculated Tc values for these materials range from 10 K to 35 K. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2410_21769 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Superconductivity in Janus IV-B transition metal chalcogenide hydrides Seeyangnok, Jakkapat Pinsook, Udomsilp Ackland, Graeme John Superconductivity Materials Science Two-dimensional Janus transition-metal chalcogenide -hydrides (2D-JTMCs) feature a three layered structure, with a central layer of transition metal atoms, with chalcogenides below and hydogens above. This asymmetry endows 2D-JTMCs with unique and tunable electronic, optical, and mechanical properties. In this paper, we systematically investigate two-dimensional hexagonal 2H and 1T Janus transition metal chalcogenide (JTMC) hydrides (MXH), with M = Ti, Zr, Hf, and X = S, Se, Te. These JTMCs exhibit metallic behavior with single band crossings at the Fermi level, primarily dominated by transition metal d orbitals and phonon stability, evidenced by DFPT calculations. We estimate Tc using the Allen-Dynes formula and the closing superconducting gap by solving anisotropic gap equations of the Migdal-Eliashberg equations. Calculated Tc values for these materials range from 10 K to 35 K. |
| title | Superconductivity in Janus IV-B transition metal chalcogenide hydrides |
| topic | Superconductivity Materials Science |
| url | https://arxiv.org/abs/2410.21769 |