Computation and data driven discovery of topological phononic materials

doi:10.1038/s41467-021-21293-2

IMR OpenIR

	Computation and data driven discovery of topological phononic materials
	Li, Jiangxu 1,2; Liu, Jiaxi 1,2; Baronett, Stanley A.3; Liu, Mingfeng 1,2; Wang, Lei 1,2; Li, Ronghan 1; Chen, Yun 1,2; Li, Dianzhong 1,2; Zhu, Qiang 3; Chen, Xing-Qiu 1,2
通讯作者	Zhu, Qiang(qiang.zhu@unlv.edu) ; Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn)
	2021-02-22
发表期刊	NATURE COMMUNICATIONS
ISSN	2041-1723
卷号	12 期号:1 页码:12
摘要	The discovery of topological quantum states marks a new chapter in both condensed matter physics and materials sciences. By analogy to spin electronic system, topological concepts have been extended into phonons, boosting the birth of topological phononics (TPs). Here, we present a high-throughput screening and data-driven approach to compute and evaluate TPs among over 10,000 real materials. We have discovered 5014 TP materials and grouped them into two main classes of Weyl and nodal-line (ring) TPs. We have clarified the physical mechanism for the occurrence of single Weyl, high degenerate Weyl, individual nodal-line (ring), nodal-link, nodal-chain, and nodal-net TPs in various materials and their mutual correlations. Among the phononic systems, we have predicted the hourglass nodal net TPs in TeO3, as well as the clean and single type-I Weyl TPs between the acoustic and optical branches in half-Heusler LiCaAs. In addition, we found that different types of TPs can coexist in many materials (such as ScZn). Their potential applications and experimental detections have been discussed. This work substantially increases the amount of TP materials, which enables an in-depth investigation of their structure-property relations and opens new avenues for future device design related to TPs. Topological phononic (TP) materials are attracting wide attentions and it is more difficult to seek TP materials compared to electronic materials. Here, the authors present a high-throughput screening and data-driven approach to discover 5014 TP materials and further clarify the mechanism for the occurrence of various TPs.
资助者	National Science Fund for Distinguished Young Scholars ; National Natural Science Foundation of China ; Science Challenging Project ; major research project ; Q.Z.'s startup grant
DOI	10.1038/s41467-021-21293-2
收录类别	SCI
语种	英语
资助项目	National Science Fund for Distinguished Young Scholars[51725103] ; National Natural Science Foundation of China[51671193] ; Science Challenging Project[TZ2016004] ; major research project[2018ZX06002004] ; Q.Z.'s startup grant
WOS研究方向	Science & Technology - Other Topics
WOS类目	Multidisciplinary Sciences
WOS记录号	WOS:000621928300005
出版者	NATURE RESEARCH
引用统计	被引频次：216[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/161434
专题	中国科学院金属研究所
通讯作者	Zhu, Qiang; Chen, Xing-Qiu
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang, Peoples R China 3.Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA
推荐引用方式 GB/T 7714	Li, Jiangxu,Liu, Jiaxi,Baronett, Stanley A.,et al. Computation and data driven discovery of topological phononic materials[J]. NATURE COMMUNICATIONS,2021,12(1):12.
APA	Li, Jiangxu.,Liu, Jiaxi.,Baronett, Stanley A..,Liu, Mingfeng.,Wang, Lei.,...&Chen, Xing-Qiu.(2021).Computation and data driven discovery of topological phononic materials.NATURE COMMUNICATIONS,12(1),12.
MLA	Li, Jiangxu,et al."Computation and data driven discovery of topological phononic materials".NATURE COMMUNICATIONS 12.1(2021):12.