Paper detail

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

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.