模型平带材料的晶体网络目录
Crystal Net Catalog of Model Flat Band Materials
AI总结：
本文通过自动构建紧束缚模型对Materials Project数据库中139,367种材料进行高通量搜索，识别出63,076种含平带子晶格的材料并归类为31,635种晶体网络，显著扩展了平带晶格目录。
摘要：
平带系统目前是量子材料、光学晶格和超材料领域的研究热点。这些研究的动机在于，由阻挫诱导的平带色散关系有望实现强关联现象；而识别候选平台在这些研究中起着重要作用。在此，我们通过自动构建均匀跃迁近邻紧束缚模型，开发了一种针对体相晶体平带的高通量材料搜索方法。我们证明，该方法以计算成本低廉的方式捕捉了识别候选材料中平带晶格基元所需的许多关键特征。我们将该算法应用于Materials Project数据库中的139,367种材料，并识别出63,076种至少包含一个平带元素子晶格的材料。我们进一步将这些候选体系归类为至少31,635种独特的平带晶体网络，并从晶格和能带结构两个角度识别出值得关注的候选材料。这项工作扩展了物理可实现的晶体结构中已知平带晶格的数量，并根据底层晶格对其中大多数体系进行了分类，为熟悉的（例如kagome、pyrochlore、Lieb和dice）以及此前未知的基元提供了新的见解。
英文摘要：
Flat band systems are currently under intense investigation in quantum materials, optical lattices, and metamaterials. These efforts are motivated by potential realization of strongly correlated phenomena enabled by frustration-induced flat band dispersions; identification of candidate platforms plays an important role in these efforts. Here, we develop a high-throughput materials search for bulk crystalline flat bands by automated construction of uniform-hopping near-neighbor tight binding models. We show that this approach captures many of the essential features relevant to identifying flat band lattice motifs in candidate materials in a computationally inexpensive manner. We apply this algorithm to 139,367 materials in the Materials Project database and identify 63,076 materials that host at least one flat band elemental sublattice. We further categorize these candidate systems into at least 31,635 unique flat band crystal nets and identify candidates of interest from both lattice and band structure perspectives. This work expands the number of known flat band lattices that exist in physically realizable crystal structures and classifies the majority of these systems by the underlying lattice, providing new insights for familiar (e.g. kagome, pyrochlore, Lieb, and dice) as well as previously unknown motifs.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
