论文标题

拓扑音调材料的计算和数据驱动的发现

Computation and data driven discovery of topological phononic materials

论文作者

Li, Jiangxu, Liu, Jiaxi, Baronett, Stanley A., Li, Ronghan, Wang, Lei, Zhu, Qiang, Chen, Xing-Qiu

论文摘要

拓扑量子的发现标志着凝结物理学和材料科学的新章节。与自旋电子系统类似,拓扑概念已扩展到声子中,从而增强了拓扑语音(TPS)的诞生。在这里,我们提出了一种高通量筛选和数据驱动方法,以计算和评估10,000多种材料中的TPS。我们已经阐明了5014 TP材料,并将其分为单个Weyl,高脱位Weyl和Nodal-Line(环)TPS。其中,已经详细讨论了三个代表性的TPS案例。此外,我们建议具有潜在的清洁非平凡表面状态的322 TP材料,这有利于实验表征。这项工作大大增加了当前的TP材料库,这可以深入研究其结构 - 托管关系,并为与TPS相关的未来设备设计开辟了新的途径。

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 materials. We have clarified 5014 TP materials and classified them into single Weyl, high degenerate Weyl, and nodal-line (ring) TPs. Among them, three representative cases of TPs have been discussed in detail. Furthermore, we suggest 322 TP materials with potential clean nontrivial surface states, which are favorable for experimental characterizations. This work significantly increases the current library 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.

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