Intrinsic quantum anomalous hall effect in a two-dimensional anilato-based lattice

Abstract

Using first-principles calculations, we predict an intrinsic quantum anomalous Hall (QAH) state in a monolayer anilato-based metal-organic framework M2(C6O4X2)3 (M = Mn and Tc, X = F, Cl, Br and I). The spin-orbit coupling of M d orbitals opens a nontrivial band gap up to 18 meV at the Dirac point. The electron counting rule is used to explain the intrinsic nature of the QAH state. The calculated nonzero Chern number, gapless edge states and quantized Hall conductance all confirm the nontrivial topological properties in the anilato-based lattice. Our findings provide an organic materials platform for the realization of the QAH effect without the need for magnetic and charge doping, which are highly desirable for the development of low-energy-consumption spintronic devices.

Topological band evolution between Lieb and kagome lattices

“…We note that hopping terms can also be tuned by a chain of waveguide 20,49 , which could possibly be used to tune the band dispersion to realize the transition between type-I and type-II Dirac states. On the other hand, the Lieb and Kagome lattices have been separately proposed in real material systems, such as the 2D metal-organic and covelent-organic frameworks (MOF/COF) 24,[50][51][52][53] . Considering the high tunability of the MOF/COFs 54,55 , it is also possible to find suitable real 2D material systems to realize such phase transition.…”

Metal–Organic Frameworks in Modern Physics: Highlights and Perspectives

“…Although the existence of such states has already been confirmed for limited numbers of inorganic compounds and artificial metamaterials, no experimental data exists for organic, and especially, metal–organic materials. In this case, the calculation approach also helped to reveal that MOF structures satisfy the requisite topological concept (Figure b); since 2013, there have been several theoretical works based on 2D structures confirming the existence of topological states allowing an opposite transfer of electrons with opposite spins . These states should originate from electrons filling the hybridized bands of metal ions and molecular orbitals of the ligands .…”

“…[65] Although the existence of such states has already been confirmed for limited numbers of inorganic compounds and artificial metamaterials, [66] no experimental data exists for organic, and especially, metal-organic materials. [67][68][69][70][71] These states should originate from electrons filling the hybridized bands of metal ions and molecular orbitals of the ligands. [67][68][69][70][71] These states should originate from electrons filling the hybridized bands of metal ions and molecular orbitals of the ligands.…”

Half-Dirac semimetals and the quantum anomalous Hall effect in Kagome Cd2N3 lattices

“…All the spin-polarized calculations are performed by using density-functional theory (DFT), as implemented in Vienna ab initio simulation package (VASP) [46]. The projectoraugmented-wave (PAW) potential [47,48], Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional [49] employed. An all-electron description, the projector augmented wave method, is used to describe the electron-ion interaction.…”