论文标题

高质量平板范德华材料的清单

Inventory of high-quality flat-band van der Waals materials

论文作者

Duan, Jingyi, Ma, Da-Shuai, Zhang, Run-Wu, Zhang, Zeying, Cui, Chaoxi, Jiang, Wei, Yu, Zhi-Ming, Yao, Yugui

论文摘要

除了提出理论模型外,在平面频段领域还需要做更多的事情。一个未开发的区域是范德华(VDW)材料中的扁平带。探索更多平坦的材料候选物并将有希望的材料转移到应用中,已被公认为是下一代高效设备的基石。在这里,我们利用一个强大的高通量工具来筛选基于无机晶体结构数据库所需的VDW材料。通过过滤层,我们从4997 VDW材料中获得了861个潜在的单层。值得注意的是,这是第一个在VDW材料中引入平面电子性质的示例,并通过绘制二维(2D)平板晶格模型来提出三个代表性平板材料的家族。与现有的筛选方案不同,首先提出了一个简单的通用规则,即2D平板评分标准,以有效地识别229个高质量的平板候选者,并提供了指导以诊断2D平面乐队的质量。筛选实验性可用的扁平候选者的所有这些努力肯定会激励人们继续探索这类特殊材料及其在材料科学中的应用。

More is left to do in the field of flat bands besides proposing theoretical models. One unexplored area is the flat bands featured in the van der Waals (vdW) materials. Exploring more flat-band material candidates and moving the promising materials toward applications have been well recognized as the cornerstones for the next-generation high-efficiency devices. Here, we utilize a powerful high-throughput tool to screen desired vdW materials based on the Inorganic Crystal Structure Database. Through layers of filtration, we obtained 861 potential monolayers from 4997 vdW materials. Significantly, it is the first example to introduce flat-band electronic properties in the vdW materials and propose three families of representative flat-band materials by mapping two-dimensional (2D) flat-band lattice models. Unlike existing screening schemes, a simple, universal rule, i.e., 2D flat-band score criterion, is first proposed to efficiently identify 229 high-quality flat-band candidates, and guidance is provided to diagnose the quality of 2D flat bands. All these efforts to screen experimental available flat-band candidates will certainly motivate continuing exploration towards the realization of this class of special materials and their applications in material science.

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