English

Quantum anomalous Hall effect in metal-bis(dithiolene), magnetic properties, doping and interfacing graphene

Materials Science 2018-09-18 v1

Abstract

The realization of the Quantum anomalous Hall effect (QAHE) in two dimensional (2D) metal organic frameworks (MOFs), (MC4_4S4_4)3_3 with M = Mn, Fe, Co, Ru and Rh, has been investigated based on a combination of first-principles calculations and tight binding models. Our results for the magnetic anisotropy energy (MAE) reveal that the out-of-plane (in-plane) magnetization is favored for M = Mn, Fe, and Ru (Co, and Rh). Given the structural symmetry of (MC4_4S4_4)3_3, the QAHE takes place only for M = Mn, Fe and Ru. Such a quantum anomalous Hall phase has been confirmed through the calculation of the Chern number, and examining the formation of topologically protected (metallic) edge states. Further electron (nn-type) doping of the MOFs has been done in order to place the Fermi level within the non-trivial energy gap; where we find that in (RuC4_4S4_4)3_3, in addition to the up-shift of the Fermi level, the MAE energy increases by 40\%. Finally, we show that in MOF/graphene (vdW) interfaces, the Fermi level tunning can be done with an external electric field, which controls the charge transfer at the MOF/graphene interface, giving rise to switchable topologically protected edge currents in MOFs.

Keywords

Cite

@article{arxiv.1805.11961,
  title  = {Quantum anomalous Hall effect in metal-bis(dithiolene), magnetic properties, doping and interfacing graphene},
  author = {F. Crasto de Lima and G. J. Ferreira and R. H. Miwa},
  journal= {arXiv preprint arXiv:1805.11961},
  year   = {2018}
}