Two-dimensional Kagome-in-Honeycomb materials (MN$_4$)$_3$C$_{32}$ (M=Pt or Mn) (2403.03402v1)

Abstract: We propose two novel two-dimensional (2D) topological materials, (PtN$4$)$_3$C${32}$ and (MnN$4$)$_3$C${32}$, with a special geometry that we named as kagome-in-honeycomb (KIH) lattice structure, to illustrate the coexistence of the paradigmatic states of kagome physics, Dirac fermions and flat bands, that are difficult to be simultaneously observed in three-dimensional realistic systems. In such system, MN$4$(M=Pt or Mn) moieties are embedded in honeycomb graphene sheet according to kagome lattice structure, thereby resulting in a KIH lattice. Using the first-principles calculations, we have systemically studied the structural, electronic, and topological properties of these two materials. In the absence of spin-orbit coupling (SOC), they both exhibit the coexistence of Dirac/quadratic-crossing cone and flat band near the Fermi level. When SOC is included, a sizable topological gap is opened at the Dirac/quadratic-crossing nodal point. For nonmagnetic (PtN$_4$)$_3$C${32}$, the system is converted into a $\mathbb{Z}2$ topological quantum spin Hall insulator defined on a curved Fermi level, while for ferromagnetic (MnN$_4$)$_3$C${32}$, the material is changed from a half-semi-metal to a quantum anomalous Hall insulator with nonzero Chern number and nontrivial chiral edge states. Our findings not only predict a new family of 2D quantum materials, but also provide an experimentally feasible platform to explore the emergent kagome physics, topological quantum Hall physics, strongly correlated phenomena, and theirs fascinating applications.