We present a novel approach to induce charge density
waves (CDWs)
in metallic MA2Z4 materials, resembling the
behavior observed in transition metal dichalcogenides (TMDCs). This
method leverages the intercalating architecture to maintain the same
crystal field and Fermi surface topologies. Our investigation reveals
that CDW instability in these materials arises from electron–phonon
coupling (EPC) between the d band and longitudinal
acoustic (LA) phonons, mirroring TMDC’s behavior. By combining
α-MA2Z4 with 1H-MX2 materials in a predictive CDW phase diagram using critical
EPC constants, we demonstrate the feasibility of extending CDW across
material families with comparable crystal fields and reveal the crucial
role in CDW instability of the competition between ionic charge transfer
and electron correlation. We further uncover a strain-induced Mott
transition in β2-NbGe2N4 monolayer
featuring star-of-David patterns. This work highlights the potential
of intercalating architecture to engineer CDW materials, expanding
our understanding of CDW instability and correlation physics.