Correlated Low-Energy Model of Monolayer 1H-NbS$_2$: A cRPA+DMFT Study
Monolayer $1\mathrm{H}\text{-}\mathrm{NbS}_2$ hosts a well-separated metallic band of predominant Nb-$d_{z^2}$ character, providing an ideal platform to probe electronic correlations within a single-band setting. In this work, we present a comprehensive study of $1\mathrm{H}\text{-}\mathrm{NbS}_2$ by combining first-principles Wannier interpolation, constrained random-phase approximation (cRPA), and DFT+DMFT. We show that an effective single-band model accurately captures the low-energy electronic structure, reproducing key experimental features from ARPES and STS $dI/dV$ spectra, including a characteristic Van Hove singularity. While static DFT+$U$ fails to describe the correlated metallic nature of the system, DFT+DMFT successfully accounts for the spectral weight redistribution and dynamic correlations. By defining the cRPA target subspace directly within the isolated Nb-$d_{z^2}$ band, we obtain a renormalized local interaction of $U_{\mathrm{cRPA}} = 1.138~\mathrm{eV}$. This interaction stabilizes a strongly correlated metallic state that remains robust upon cooling. Remarkably, this minimal single-band model captures a spectral broadening similar to that previously reported in more elaborate treatments - incorporating larger local interactions ($U \sim 1.8~\mathrm{eV}$, derived from a multiorbital cRPA construction), intersite Coulomb terms ($V$), and electron-phonon coupling - demonstrating that a consistently downfolded local interaction alone can already capture key aspects of the experimentally observed low-energy behavior of monolayer $1\mathrm{H}\text{-}\mathrm{NbS}_2$.