Assessing the possible superconductivity in doped perovskite hydride KMgH$_3$: Effects of lattice anharmonicity and spin fluctuations
Fuente:
arXiv
Salvato in:
| Autori principali: | , , , |
|---|---|
| Natura: | Preprint |
| Pubblicazione: |
2024
|
| Soggetti: | |
| Accesso online: | |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
| _version_ | 1866915021946093568 |
|---|---|
| author | Lu, Shaocong Akashi, Ryosuke Kawamura, Mitsuaki Tsuneyuki, Shinji |
| author_facet | Lu, Shaocong Akashi, Ryosuke Kawamura, Mitsuaki Tsuneyuki, Shinji |
| contents | The superconducting properties of uniformly hole-doped perovskite hydride KMgH$_3$ with varying doping concentration and lattice parameter corresponding to different pressures were investigated from first principles. The superconducting transition temperature ($T_{\mathrm{c}}$) was predicted from the density functional theory for superconductors (SCDFT), where the effects of lattice anharmonicity and spin-fluctuation were considered and examined. Although lattice anharmonicity tends to suppress superconductivity around the edge of dynamical stability, where the phase is stabilized due to anharmonic effects, $T_{\mathrm{c}}$ is enhanced. In the hole-doped \ce{KMgH3}, substantial spin-fluctuation (SF) effects were discovered, which counters the phonon-mediated pairing and decreases $T_{\mathrm{c}}$. Such anomalously strong SF is evaluated for similar hydrides, where the hydrogen 1-$s$ bands are isolated at the Fermi level, and its correlation with the electronics density of states was explored. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2411_09966 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Assessing the possible superconductivity in doped perovskite hydride KMgH$_3$: Effects of lattice anharmonicity and spin fluctuations Lu, Shaocong Akashi, Ryosuke Kawamura, Mitsuaki Tsuneyuki, Shinji Superconductivity The superconducting properties of uniformly hole-doped perovskite hydride KMgH$_3$ with varying doping concentration and lattice parameter corresponding to different pressures were investigated from first principles. The superconducting transition temperature ($T_{\mathrm{c}}$) was predicted from the density functional theory for superconductors (SCDFT), where the effects of lattice anharmonicity and spin-fluctuation were considered and examined. Although lattice anharmonicity tends to suppress superconductivity around the edge of dynamical stability, where the phase is stabilized due to anharmonic effects, $T_{\mathrm{c}}$ is enhanced. In the hole-doped \ce{KMgH3}, substantial spin-fluctuation (SF) effects were discovered, which counters the phonon-mediated pairing and decreases $T_{\mathrm{c}}$. Such anomalously strong SF is evaluated for similar hydrides, where the hydrogen 1-$s$ bands are isolated at the Fermi level, and its correlation with the electronics density of states was explored. |
| title | Assessing the possible superconductivity in doped perovskite hydride KMgH$_3$: Effects of lattice anharmonicity and spin fluctuations |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2411.09966 |