Conetronics in 2D metal-organic frameworks: double/half Dirac cones and quantum anomalous Hall effect

Abstract

Bandstructure with Dirac cones gives rise to massless Dirac fermions with rich physics, and here we predict rich cone properties in M3C12S12 and M3C12O12, where M = Zn, Cd, Hg, Be, or Mg based on recently synthesized Ni3C12S12—class 2D metal-organic frameworks (MOFs). For M3C12S12, their band structures exhibit double Dirac cones with different Fermi velocities that are n (electron) and p (hole) type, respectively, which are switchable by few-percent strain. The crossing of two cones are symmetry-protected to be non-hybridizing, leading to two independent channels at the same k-point akin to spin-channels in spintronics, rendering ‘conetronics’ device possible. For M3C12O12, together with conjugated metal-tricatecholate polymers M3(HHTP)2, the spin-polarized slow Dirac cone center is pinned precisely at the Fermi level, making the systems conducting in only one spin/cone channel. Quantum anomalous Hall effect can arise in MOFs with non-negligible spin–orbit coupling like Cu3C12O12. Compounds of M3C12S12 and M3C12O12 with different M, can be used to build spin/cone-selecting heterostructure devices tunable by strain or electrostatic gating, suggesting their potential applications in spintroincs/conetronics.