Homecond-mat.supr-conarXiv:2605.30297

Electron Doping of $\mathrm{La_3Ni_2O_7}$ Thin Films: Candidate Metal Dopants and Their Potential Impact on Superconductivity

cond-mat.supr-con2026-05v1license

Abstract

The bilayer Ruddlesden-Popper nickelate La3Ni2O7\mathrm{La_3Ni_2O_7} has emerged as a promising platform for exploring and understanding high-temperature superconductivities. While most prior doping studies have focused on hole doping via strontium (Sr) substitution or by tuning oxygen content, electron doping remains largely unexplored. In this work,we systematically investigate electron doping in La3Ni2O7\mathrm{La_3Ni_2O_7} thin films through tetravalent element substitution, employing first-principles density functional theory calculations. Our results reveal that, unlike in cuprates, cerium\mathrm{cerium} (Ce) doping is difficult to effectively introduce electron carriers into the low-energy bands. In contrast, zirconium (Zr), hafnium (Hf), and thorium (Th) can act as efficient electron dopants. These element substitutions can significantly increase the interlayer hopping tt_{\perp} between dz2d_{z^2} orbitals, which may lead to enhanced superexchange coupling JJ_{\perp} , and thereby potentially elevated superconducting TcT_c. We evaluate the interaction parameters using constrained random phase approximation. Our results identify candidate dopants for achieving electron-doped La3Ni2O7\mathrm{La_3Ni_2O_7}, offering a route to clarify the ongoing debate on pairing mechanisms in this system.

Comments: 10 pages, 10 figures

Cite

@article{arxiv.2605.30297,
  title  = {Electron Doping of $\mathrm{La_3Ni_2O_7}$ Thin Films: Candidate Metal Dopants and Their Potential Impact on Superconductivity},
  author = {Shi-Cong Mo and Wéi Wú},
  journal= {arXiv preprint arXiv:2605.30297},
  year   = {2026}
}