Flat-band solutions in $D$-dimensional decorated diamond and pyrochlore lattices: Reduction to molecular problem

Abstract

Flat-band models have been of particular interest from both fundamental aspects and realization in materials. Beyond the canonical examples such as Lieb lattices and line graphs, a variety of tight-binding models are found to possess flat bands. However, analytical treatment of dispersion relations is limited, especially when there are multiple flat bands with different energies. In this paper, we present how to determine flat-band energies and wave functions in tight-binding models on decorated diamond and pyrochlore lattices in generic dimensions D ≥ 2. For two and three dimensions, such lattice structures are relevant to various organic and inorganic materials, and thus our method will be useful to analyze the band structures of these materials.

General construction of flat bands with and without band crossings based on wave function singularity

“…50-52, FB models are constructed by using the flat band generator in one and two dimensions. On the other hand, FB models in several lattices including Kagome and pyrochlore lattices are constructed using the molecular-orbital representation [53][54][55][56]. Also, general construction schemes [49,57,58] for obtaining FBs with and without band crossing points have been proposed on the basis of graph theories [20][21][22]59], symmetry indicators [60][61][62], and topological quantum chemistry [63][64][65].…”