English

Realistic flat-band model based on degenerate $p$-orbitals in two-dimensional ionic materials

Materials Science 2021-02-04 v3 Other Condensed Matter

Abstract

Though several theoretical models have been proposed to design electronic flat-bands, the definite experimental realization in two-dimensional atomic crystal is still lacking. Here we propose a novel and realistic flat-band model based on threefold degenerate pp-orbitals in two-dimensional ionic materials. Our theoretical analysis and first-principles calculations show that the proposed flat-band can be realized in 1T layered materials of alkali-metal chalogenides and metal-carbon group compounds. Some of the former are theoretically predicted to be stable as layered materials (e.g., K2_2S), and some of the latter have been experimentally fabricated in previous works (e.g., Gd2_2CCl2_2). More interestingly, the flat-band is partially filled in the heterostructure of a K2_2S monolayer and graphene layers. The spin polarized nearly flat-band can be realized in the ferromagnetic state of a Gd2_2CCl2_2 monolayer, which has been fabricated in experiments. Our theoretical model together with the material predictions provide a realistic platform for the study of flat-bands and related exotic quantum phases.

Keywords

Cite

@article{arxiv.2003.03034,
  title  = {Realistic flat-band model based on degenerate $p$-orbitals in two-dimensional ionic materials},
  author = {Jiang Zeng and Ming Lu and Haiwen Liu and Hua Jiang and X. C. Xie},
  journal= {arXiv preprint arXiv:2003.03034},
  year   = {2021}
}

Comments

5 pages, 4 figures

R2 v1 2026-06-23T14:06:04.666Z