Intercalated architecture of MA₂Z₄ family layered van der Waals materials with emerging topological, magnetic and superconducting properties.

ABSTRACT: The search for new two-dimensional monolayers with diverse electronic properties has attracted growing interest in recent years. Here, we present an approach to construct MA₂Z₄ monolayers with a septuple-atomic-layer structure, that is, intercalating a MoS₂-type monolayer MZ₂ into an InSe-type monolayer A₂Z₂. We illustrate this unique strategy by means of first-principles calculations, which not only reproduce the structures of MoSi₂N₄ and MnBi₂Te₄ that were already experimentally synthesized, but also predict 72 compounds that are thermodynamically and dynamically stable. Such an intercalated architecture significantly reconstructs the band structures of the constituents MZ_2<

SUBMITTER: Wang L 

PROVIDER: S-EPMC8060390 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature