High Chern numbers in a perovskite-derived dice lattice (LaXO(3))(3)/(LaAlO(3))(3)(111) with X = Ti, Mn and Co

在钙钛矿衍生的双晶格(LaXO(3))3/(LaAlO(3))3(111)中,X = Ti、Mn和Co具有高陈数。

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Abstract

The dice lattice, containing a stack of three triangular lattices, has been proposed to exhibit nontrivial flat bands with nonzero Chern numbers, but unlike the honeycomb lattice it is much less studied. By employing density-functional theory (DFT) calculations with an on-site Coulomb repulsion term, we explore systematically the electronic and topological properties of (LaXO(3))(3)/(LaAlO(3))(3)(111) superlattices with X = Ti, Mn and Co, where a LaAlO(3) trilayer spacer confines the LaXO(3) (LXO) dice lattice. In the absence of spin-orbit coupling (SOC) with symmetry constrained to P3, the ferromagnetic (FM) phase of the LXO(111) trilayers exhibits a half-metallic band structure with multiple Dirac crossings and coupled electron-hole pockets around the Fermi energy. Symmetry lowering induces a significant rearrangement of bands and triggers a metal-to-insulator transition. Inclusion of SOC leads to a substantial anomalous Hall conductivity (AHC) around the Fermi energy reaching values up to [Formula: see text] for X = Mn and Co in P3 symmetry and both in- and out-of-plane magnetization directions in the first case and along [001] in the latter. The dice lattice emerges as a promising playground to realise nontrivial topological phases with high Chern numbers.

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