English

Correlation-driven threefold topological phase transition in monolayer $\mathrm{OsBr_2}$

Materials Science 2022-03-11 v1

Abstract

Spin-orbit coupling (SOC) combined with electronic correlation can induce topological phase transition, producing novel electronic states. Here, we investigate the impact of SOC combined with correlation effects on physical properties of monolayer OsBr2\mathrm{OsBr_2}, based on first-principles calculations with generalized gradient approximation plus UU (GGA+UU) approach. With intrinsic out-of-plane magnetic anisotropy, OsBr2\mathrm{OsBr_2} undergoes threefold topological phase transition with increasing UU, and valley-polarized quantum anomalous Hall insulator (VQAHI) to half-valley-metal (HVM) to ferrovalley insulator (FVI) to HVM to VQAHI to HVM to FVI transitions can be induced. These topological phase transitions are connected with sign-reversible Berry curvature and band inversion between dxyd_{xy}/dx2y2d_{x^2-y^2} and dz2d_{z^2} orbitals. Due to 6ˉm2\bar{6}m2 symmetry, piezoelectric polarization of OsBr2\mathrm{OsBr_2} is confined along the in-plane armchair direction, and only one d11d_{11} is independent. For a given material, the correlation strength should be fixed, and OsBr2\mathrm{OsBr_2} may be a piezoelectric VQAHI (PVQAHI), piezoelectric HVM (PHVM) or piezoelectric FVI (PFVI). The valley polarization can be flipped by reversing the magnetization of Os atoms, and the ferrovalley (FV) and nontrivial topological properties will be suppressed by manipulating out-of-plane magnetization to in-plane one. In considered reasonable UU range, the estimated Curie temperatures all are higher than room temperature. Our findings provide a comprehensive understanding on possible electronic states of OsBr2\mathrm{OsBr_2}, and confirm that strong SOC combined with electronic correlation can induce multiple quantum phase transition.

Keywords

Cite

@article{arxiv.2203.05225,
  title  = {Correlation-driven threefold topological phase transition in monolayer $\mathrm{OsBr_2}$},
  author = {San-Dong Guo and Wen-Qi Mu and Bang-Gui Liu},
  journal= {arXiv preprint arXiv:2203.05225},
  year   = {2022}
}

Comments

9 pages, 12 figures

R2 v1 2026-06-24T10:08:21.581Z