Interaction-driven spin-orbit effects and Chern insulating phases in corundum-based and oxide honeycomb lattices
arXiv:1803.07392 · doi:10.1016/j.jpcs.2018.01.049
Abstract
Using density functional theory calculations with a Hubbard , we explore topologically nontrivial phases in O honeycomb layers with and cation inserted in the band insulator -AlO along the [0001]-direction. Several promising candidates for quantum anomalous Hall insulators (QAHI) are identified. In particular, for =Tc and Pt spin-orbit coupling (SOC) opens a gap of 54 and 59 meV, respectively, leading to Chern insulators (CI) with =--2 and --1. The nature of different Chern numbers is related to the corresponding spin textures. The Chern insulating phase is sensitive to the Coulomb repulsion strength: =Tc undergoes a transition from a CI to a trivial metallic state beyond a critical strength of =2.5 eV. A comparison between the isoelectronic metastable FM phases of =Pd and Pt emphasizes the intricate balance between electronic correlations and SOC: while the former is a trivial insulator, the latter is a Chern insulator. In addition, =Os turns out to be a FM Mott insulator with an unpaired electron in the manifold where SOC induces an unusually high orbital moment of 0.34 along the -axis. Parallels to the honeycomb corundum cases are discussed.
arXiv comment22 pages, 11 figures
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