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Intrinsic Ferromagnetism in Electrenes

Computational Physics 2020-11-25 v1 Materials Science

Abstract

We report intrinsic ferromagnetism in monolayer electrides or electrenes, in which excess electrons act as anions. Our first-principles calculations demonstrate that magnetism in such electron-rich two-dimensional (2D) materials originates from the anionic electrons rather than partially filled d orbitals, which is fundamentally different from ferromagnetism found in other 2D intrinsic magnetic materials. Taking the honeycomb LaBr2_2 (La3+^{3+}Br2e^{-}_{2}\cdot e^{-}) as an example, our calculations reveal that the excess electron is localized at the center of the hexagon, which leads to strong Stoner-instability of the associated states at the Fermi energy, resulting in spontaneous magnetization and formation of a local moment. The overlap of extended tails of the wave functions of these electrons mediates a long-range ferromagnetic interaction, contributing to a Curie temperature (TcT_\textrm{c}) of 235 K and a coercive field (HcH_\textrm{c}) of 0.53 T, which can be further enhanced by hole doping. The dual nature, localization and extension, of the electronic states suggests a unique mechanism in such magnetic-element-free electrenes as intrinsic 2D ferromagnets.

Keywords

Cite

@article{arxiv.1904.04952,
  title  = {Intrinsic Ferromagnetism in Electrenes},
  author = {Jun Zhou and Yuan Ping Feng and Lei Shen},
  journal= {arXiv preprint arXiv:1904.04952},
  year   = {2020}
}
R2 v1 2026-06-23T08:34:52.622Z