English

Flat bands and magnetism in $\mathrm{\mathbf{Fe_4 Ge Te_2}}$ and $\mathrm{\mathbf{Fe_5GeTe_2}}$ due to bipartite crystal lattices

Materials Science 2023-11-22 v3 Mesoscale and Nanoscale Physics

Abstract

Fen=4,5GeTe2\mathrm{Fe_{n=4,5}GeTe_2} exhibits quasi-two-dimensional properties as a promising candidate for a near-room-temperature ferromagnet, which has attracted great interest. In this work, we notice that the crystal lattice of Fen=4,5GeTe2\mathrm{Fe_{n=4,5}GeTe_2} can be approximately regarded as being stacked by three bipartite crystal lattices. By combining the model Hamiltonians of bipartite crystal lattices and first-principles calculations, we investigate the electronic structure and the magnetism of Fen=4,5GeTe2\mathrm{Fe_{n=4,5}GeTe_2}. We conclude that flat bands near the Fermi level originate from the bipartite crystal lattices and that these flat bands are expected to lead to the itinerant ferromagnetism in Fen=4,5GeTe2\mathrm{Fe_{n=4,5}GeTe_2}. Interestingly, we also find that the magnetic moment of the Fe5 atom in Fe5GeTe2\mathrm{Fe_5 Ge Te_2} is distinct from the other Fe atoms and is sensitive to the Coulomb interaction UU and external pressure. These findings may be helpful to understand the exotic magnetic behavior of Fen=4,5GeTe2\mathrm{Fe_{n=4,5} Ge Te_2}.

Keywords

Cite

@article{arxiv.2306.15996,
  title  = {Flat bands and magnetism in $\mathrm{\mathbf{Fe_4 Ge Te_2}}$ and $\mathrm{\mathbf{Fe_5GeTe_2}}$ due to bipartite crystal lattices},
  author = {Fuyi Wang and Haijun Zhang},
  journal= {arXiv preprint arXiv:2306.15996},
  year   = {2023}
}

Comments

10 pages, 8 figures