Department of Physics and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, Lotharstr. 1, 47057, Duisburg, Germany.
Sci Rep. 2023 Jun 30;13(1):10615. doi: 10.1038/s41598-023-36170-9.
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)/(LaAlO)(111) superlattices with X = Ti, Mn and Co, where a LaAlO trilayer spacer confines the LaXO (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.
包含三个三角形晶格的骰子晶格被提出具有非平凡的平带和非零陈数,但与蜂窝晶格相比,它的研究要少得多。通过使用具有局域库仑排斥项的密度泛函理论(DFT)计算,我们系统地研究了(LaXO)/(LaAlO)(111)超晶格的电子和拓扑性质,其中 LaAlO 三层间隔物限制了 LaXO(LXO)骰子晶格。在没有自旋轨道耦合(SOC)且对称性受限于 P3 的情况下,LXO(111)三层的铁磁(FM)相表现出具有多个狄拉克交叉点和费米能附近耦合电子-空穴口袋的半金属能带结构。对称性降低会导致能带的显著重排,并引发金属-绝缘体转变。包含 SOC 会导致费米能附近的反常霍尔电导率(AHC)显著增加,在 P3 对称性下,对于 X = Mn 和 Co,其值高达 [Formula: see text],在第一种情况下,以及在第二种情况下沿 [001] 方向,具有内和外磁化方向。骰子晶格是实现具有高陈数的非平凡拓扑相的有前途的场所。