English

Bilayer two-orbital model of La$_3$Ni$_2$O$_7$ under pressure

Superconductivity 2023-09-26 v2 Strongly Correlated Electrons

Abstract

The newly discovered Ruddlesden-Popper bilayer La3_3Ni2_2O7_7 reaches an remarkable superconducting transition temperature TcT_c = 80 K under a pressure of above 14 GPa. Here we propose a minimal bilayer two-orbital model of the high-pressure phase of La3_3Ni2_2O7_7. Our model is constructed with the Ni-3dx2y2_{x^2-y^2}, 3d3z2r2_{3z^2-r^2} orbitals by using Wannier downfolding of the density functional theory calculations, which captures the key ingredients of the material, such as band structure and Fermi surface topology. There are two electron pockets α\alpha, β\beta and one hole pocket γ\gamma on the Fermi surface, in which the α\alpha, β\beta pockets show mixing of two orbitals, while the γ\gamma pocket is associated with Ni-d3z2r2_{3z^2-r^2} orbital. The RPA spin susceptibility reveals a magnetic enhancement associating to the d3z2r2_{3z^2-r^2} state. A higher energy model with O-p orbitals is also provided for further study.

Keywords

Cite

@article{arxiv.2305.15564,
  title  = {Bilayer two-orbital model of La$_3$Ni$_2$O$_7$ under pressure},
  author = {Zhihui Luo and Xunwu Hu and Meng Wang and Wéi Wú and Dao-Xin Yao},
  journal= {arXiv preprint arXiv:2305.15564},
  year   = {2023}
}