From Strong to Weak Correlations in Breathing-Mode Kagome van der Waals Materials : Nb3(F, Cl, Br, I)8 as a Robust and Versatile Platform for Many-Body Engineering
By combining ab initio downfolding with cluster dynamical mean-field theory, we study the degree of correlations in monolayer, bilayer, and bulk breathing-mode kagome van der Waals materials Nb3(F, Cl, Br, I)8. Our new material-specific many-body model library shows that in low-temperature bulk structures the Coulomb correlation strength steadily increases from I to Br, Cl, and F, allowing us to i
