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.
Bibliographical noteFunding Information:
This work is supported by the DOE-BES (Grant No. DE-FG02-04ER46148). We acknowledge DOE-NERSC and CHPC at the University of Utah for providing the computing resources.
© 2018 The Royal Society of Chemistry.