Ferromagnetic coupling in a two-dimensional Cairo pentagonal Ni2(TCNQ)2 lattice

Abstract

Magnetism has revolutionized important technologies, and continues to bring forth new phenomena in emergent materials and reduced dimensions. Here, using first-principles calculations, we demonstrate that the already-synthesized two-dimensional (2D) Ni-tetracyanoquinodimethane (Ni2(TCNQ)2) lattice is a stable ferromagnetism material with multiple spin-polarized Dirac cones. The conical bands in proximity of the Fermi level can be tuned by external tensile strain and show the fourfold degenerate electronic states at the critical tensile strain of ∼2.35 %, whose energy dispersion is consistent with 2D Cairo pentagonal lattice. In addition, spin-orbital coupling can open a band gap at the Dirac point of A, leading to topologically nontrivial electronic states characterized by the non-zero Chern number and the edge states of nanoribbon. Our results offer versatile platforms for the realization of massless spintronics with full-spin polarization in 2D Cairo pentagonal Ni2(TCNQ)2 Lattice.