Novel Superconducting Ternary Hydrides under High Pressure

doi:arXiv:2411.11674

	Novel Superconducting Ternary Hydrides under High Pressure
	Zhu, Bangshuai1 ; Shao, Dexi 2; Pei, Cuiying1 ; Wang, Qi 1,3; Wu, Juefei1 ; Qi, Yanpeng1,3,4
	2024-11-18
状态	已发表
摘要	The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16 metal elements within 5 reported prototype structures. We conducted a three-step approach to screen and study these candidate structures in the aspects of dynamical stability, formation energy and relative enthalpy, respectively. Based on this approach, we found three meta-stable compounds with hydrogen clathrate cages in the space group of P3m1, including Y₂CdH₁₈, Y₂InH₁₈and Ca₂SnH₁₈. All of the structures are superconductive under high pressure with Tc above 110 K, which is larger than the superconductive temperature of liquid nitrogen. Our study enriches the database of novel ternary hydrides under high pressure, and provides insight for future theoretical and experimental researches.
语种	英语
DOI	arXiv:2411.11674
相关网址	查看原文
出处	Arxiv
收录类别	PPRN.PPRN
WOS记录号	PPRN:119262012
WOS类目	Physics, Condensed Matter
资助项目	National Key R&D Program of China[2023YFA1607400] ; National Natural Science Foundation of China[52272265]
文献类型	预印本
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/467844
专题	物质科学与技术学院物质科学与技术学院_PI研究组_齐彦鹏组物质科学与技术学院_博士生
通讯作者	Wu, Juefei; Qi, Yanpeng
作者单位	1.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 2.Hangzhou Normal Univ, Sch Phys, Hangzhou, Peoples R China 3.ShanghaiTech Univ, ShanghaiTech Lab Topol Phys, Shanghai 201210, Peoples R China 4.ShanghaiTech Univ, Shanghai Key Lab High Resolut Electron Microscopy, Shanghai 201210, Peoples R China
推荐引用方式 GB/T 7714	Zhu, Bangshuai,Shao, Dexi,Pei, Cuiying,et al. Novel Superconducting Ternary Hydrides under High Pressure. 2024.