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Quantum spin-Hall insulators (QSHIs), i.e., two-dimensional topologicalinsulators (TIs) with a symmetry-protected band inversion, have attractedconsiderable scientific interest in recent years. In this work, we havecomputed the topological Z2 invariant for 220 functionalized honeycomb latticesthat are isoelectronic to functionalized graphene. Besides confirming the TIcharacter of well-known materials such as functionalized stanene, our studyidentifies 45 yet unreported QSHIs. We applied a compressed-sensing approach toidentify a physically meaningful descriptor for the Z2 invariant that onlydepends on the properties of the material's constituent atoms. This enables usto draw a map of materials, in which metals, trivial insulators, and QSHI formdistinct regions. This analysis yields fundamental insights in the mechanismsdriving topological transitions. The transferability of the identified model isexplicitly demonstrated for an additional set of honeycomb lattices withdifferent functionalizations that are not part of the original set of 220graphene-type materials used to identify the descriptor. In this class, wepredict 74 more novel QSHIs that have not been reported in literature yet.

Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing