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Computation and data driven discovery of topological phononic materials
Li, Jiangxu1,2; Liu, Jiaxi1,2; Baronett, Stanley A.3; Liu, Mingfeng1,2; Wang, Lei1,2; Li, Ronghan1; Chen, Yun1,2; Li, Dianzhong1,2; Zhu, Qiang3; Chen, Xing-Qiu1,2
Corresponding AuthorZhu, Qiang(qiang.zhu@unlv.edu) ; Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn)
2021-02-22
Source PublicationNATURE COMMUNICATIONS
ISSN2041-1723
Volume12Issue:1Pages:12
AbstractThe 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.
Funding OrganizationNational Science Fund for Distinguished Young Scholars ; National Natural Science Foundation of China ; Science Challenging Project ; major research project ; Q.Z.'s startup grant
DOI10.1038/s41467-021-21293-2
Indexed BySCI
Language英语
Funding ProjectNational 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 Research AreaScience & Technology - Other Topics
WOS SubjectMultidisciplinary Sciences
WOS IDWOS:000621928300005
PublisherNATURE RESEARCH
Citation statistics
Cited Times:24[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/161434
Collection中国科学院金属研究所
Corresponding AuthorZhu, Qiang; Chen, Xing-Qiu
Affiliation1.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
Recommended Citation
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.
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