| Parent structures of near-ambient nitrogen-doped lutetium hydride superconductor | |
| Liu, Mingfeng1,2; Liu, Xiangyang1; Li, Jiangxu1; Liu, Jiaxi1,2; Sun, Yan1; Chen, Xing-Qiu1; Liu, Peitao1 | |
| 通讯作者 | Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn) |
| 2023-07-18 | |
| 发表期刊 | PHYSICAL REVIEW B
 |
| ISSN | 2469-9950 |
| 卷号 | 108期号:2页码:5 |
| 摘要 | Recently, near-ambient superconductivity has been experimentally evidenced in a nitrogen-doped lutetium hydride [Nature (London) 615, 244 (2023)], which yields a remarkable maximum Tc of 294 K at just 10 kbar. However, due to the difficulty of x-ray diffraction (XRD) in identifying light elements, such as hydrogen and nitrogen, the crystal structure of the superconductor remains elusive, in particular, for the actual stoichiometry of hydrogen and nitrogen and their atomistic positions. This holds even for its parent structure. Here, we set out to address this issue by performing a thorough density functional theory study on the structural, electronic, dynamical, and optical properties of lutetium hydrides. Through thermal and lattice dynamic analysis as well as XRD and superconductor color comparisons, we unambiguously clarified that the parent structures are a mixture of the dominant LuH2 phase of the CaF2 type (instead of the originally proposed LuH3 structure of the Fm3 over bar m space group) and the minor LuH phase of the NaCl type. |
| 资助者 | National Key R&D Program of China ; National Science Fund for Distinguished Young Scholars ; Chinese Academy of Sciences |
| DOI | 10.1103/PhysRevB.108.L020102 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 资助项目 | National Key R&D Program of China[2021YFB3501503] ; National Science Fund for Distinguished Young Scholars[51725103] ; Chinese Academy of Sciences[ZDRW-CN-2021-2-5] |
| WOS研究方向 | Materials Science ; Physics |
| WOS类目 | Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
| WOS记录号 | WOS:001063289300002 |
| 出版者 | AMER PHYSICAL SOC |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.imr.ac.cn/handle/321006/179142 |
| 专题 | 中国科学院金属研究所 |
| 通讯作者 | Chen, Xing-Qiu |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Mingfeng,Liu, Xiangyang,Li, Jiangxu,et al. Parent structures of near-ambient nitrogen-doped lutetium hydride superconductor[J]. PHYSICAL REVIEW B,2023,108(2):5. |
| APA | Liu, Mingfeng.,Liu, Xiangyang.,Li, Jiangxu.,Liu, Jiaxi.,Sun, Yan.,...&Liu, Peitao.(2023).Parent structures of near-ambient nitrogen-doped lutetium hydride superconductor.PHYSICAL REVIEW B,108(2),5. |
| MLA | Liu, Mingfeng,et al."Parent structures of near-ambient nitrogen-doped lutetium hydride superconductor".PHYSICAL REVIEW B 108.2(2023):5. |
| 条目包含的文件 | 条目无相关文件。 | |||||
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