English

Interaction-driven spin-orbit effects and Chern insulating phases in corundum-based $4d$ and $5d$ oxide honeycomb lattices

Strongly Correlated Electrons 2018-11-13 v2

Abstract

Using density functional theory calculations with a Hubbard UU, we explore topologically nontrivial phases in X2X_2O3_3 honeycomb layers with X=X= 4d4d and 5d5d cation inserted in the band insulator α\alpha-Al2_2O3_3 along the [0001]-direction. Several promising candidates for quantum anomalous Hall insulators (QAHI) are identified. In particular, for XX=Tc and Pt spin-orbit coupling (SOC) opens a gap of 54 and 59 meV, respectively, leading to Chern insulators (CI) with CC=--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: XX=Tc undergoes a transition from a CI to a trivial metallic state beyond a critical strength of UcU_c =2.5 eV. A comparison between the isoelectronic metastable FM phases of XX=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, XX=Os turns out to be a FM Mott insulator with an unpaired electron in the t2gt_{2g} manifold where SOC induces an unusually high orbital moment of 0.34 μB\mu_{\rm B} along the zz-axis. Parallels to the 3d3d honeycomb corundum cases are discussed.

Keywords

Cite

@article{arxiv.1803.07392,
  title  = {Interaction-driven spin-orbit effects and Chern insulating phases in corundum-based $4d$ and $5d$ oxide honeycomb lattices},
  author = {Okan Köksal and Rossitza Pentcheva},
  journal= {arXiv preprint arXiv:1803.07392},
  year   = {2018}
}

Comments

22 pages, 11 figures