English

Electronic structures and multi-orbital models of La$_3$Ni$_2$O$_7$ thin films at ambient pressure

Superconductivity 2026-01-07 v3

Abstract

The recent discovery of superconductivity with a transition temperature TcT_c exceeding 40 K in La3_3Ni2_2O7_7 and (La,Pr)3_{3}Ni2_2O7_7 thin films at ambient pressure marks a significant breakthrough in the field of nickelate superconductors. Using density functional theory (DFT), we propose a double-stacked two-orbital effective model for La3_3Ni2_2O7_7 thin film based on the Nieg-e_g orbitals. Our analysis of the Fermi surface reveals three electron pockets (α,α,β\alpha,\alpha^{\prime},\beta) and two hole pockets (γ,γ\gamma,\gamma^{\prime}), where the additional α\alpha^{\prime} and γ\gamma^{\prime} pockets arise from inter-stack interactions. Furthermore, we introduce a high-energy model that incorporates Op-p orbitals to facilitate future studies. Calculations of spin susceptibility within the random phase approximation (RPA) indicate that magnetic correlations are enhanced by nesting of the γ\gamma pocket, which is predominantly derived from the Nidz2-d_{z^2} orbital. Our results provide a theoretical foundation for understanding the electronic and magnetic properties of La3_3Ni2_2O7_7 thin films.

Keywords

Cite

@article{arxiv.2503.17223,
  title  = {Electronic structures and multi-orbital models of La$_3$Ni$_2$O$_7$ thin films at ambient pressure},
  author = {Xunwu Hu and Wenyuan Qiu and Cun-Qun Chen and Zhihui Luo and Dao-Xin Yao},
  journal= {arXiv preprint arXiv:2503.17223},
  year   = {2026}
}