Coexistence of Dirac Fermions and Magnons in a Layered Two-Dimensional Semiquinoid Metal-Organic Framework (2305.03867v2)

Abstract: We predict the magnetic and electronic properties of a novel metal-organic framework. By combining density functional theory and density matrix renormalization group approaches, we find the diatomic Kagome crystal structure of the metal-semiquinoid framework (H$_2$NMe$_2$)$_2$M$_2$(Cl$_2$dhbq)$_3$ (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) to host a rich variety of antiferromagnetic (AFM) and ferromagnetic (FM) Dirac semimetallic, spin-polarized Dirac fermions, and flat band magnetic insulators and metallic phases. Concomitantly, the spin excitation spectrum of the various magnetic systems display multiple Dirac-like and nodal-ring crossings. This suggests that the metal-semiquinoid system is an ideal platform for examining the intertwining of Dirac fermions and magnons.