English

Sensitive electronic correlation effects on electronic properties in ferrovalley material Janus FeClF monolayer

Materials Science 2022-04-06 v1 Mesoscale and Nanoscale Physics

Abstract

The electronic correlation may have essential influence on electronic structures in some materials with special structure and localized orbital distribution. In this work, taking Janus monolayer FeClF as a concrete example, the correlation effects on its electronic structures are investigated by using generalized gradient approximation plus UU (GGA+UU) approach. For perpendicular magnetic anisotropy (PMA), the increasing electron correlation effect can induce the ferrovalley (FV) to half-valley-metal (HVM) to quantum anomalous Hall (QAH) to HVM to FV transitions. For QAH state, there are a unit Chern number and a chiral edge state connecting the conduction and valence bands. The HVM state is at the boundary of the QAH phase, whose carriers are intrinsically 100\% valley polarized. With the in-plane magnetic anisotropy, no special QAH states and prominent valley polarization are observed. However, for both out-of-plane and in-plane magnetic anisotropy, sign-reversible Berry curvature can be observed with increasing UU. It is found that these phenomenons are related with the change of dxyd_{xy}/dx2y2d_{x^2-y^2} and dz2d_{z^2} orbital distributions and different magnetocrystalline directions. It is also found that the magnetic anisotropy energy (MAE) and Curie temperature strongly depend on the UU. With PMA, taking typical U=U=2.5 eV, the electron valley polarization can be observed with valley splitting of 109 meV, which can be switched by reversing the magnetization direction. The analysis and results can be readily extended to other nine members of monolayer FeXY (X/Y=F, Cl, Br and I) due to sharing the same Fe-dominated low-energy states and electronic correlations with FeClF monolayer.

Keywords

Cite

@article{arxiv.2111.07110,
  title  = {Sensitive electronic correlation effects on electronic properties in ferrovalley material Janus FeClF monolayer},
  author = {San-Dong Guo and Jing-Xin Zhu and Meng-Yuan Yin and Bang-Gui Liu},
  journal= {arXiv preprint arXiv:2111.07110},
  year   = {2022}
}

Comments

10 pages, 12 figures

R2 v1 2026-06-24T07:37:15.171Z