English

Interlayer superexchange in bilayer chromium trihalides

Mesoscale and Nanoscale Physics 2023-06-27 v2 Strongly Correlated Electrons

Abstract

We construct a microscopic model based on superexchange theory for a moir\'e bilayer in chromium trihalides (CrX3X_3, X=X=Br, I). In particular, we derive analytically the interlayer Heisenberg exchange and the interlayer Dzyaloshinskii-Moriya interaction with arbitrary distances (x) between spins. Importantly, our model takes into account sliding and twisting geometries in the interlayer XX-XX hopping processes. Our approach can directly access the xx-dependent interlayer exchange without large unit-cell calculations. We argue that deducing interlayer exchange by various sliding bilayers may lead to an incomplete result in a moir\'e bilayer. Using the \textit{ab initio} tight-binding Hamiltonian, we numerically evaluate the exchange interactions in CrI3_3. We find that our analytical model agrees with previous comprehensive density functional theory studies. Furthermore, our findings reveal the important role of the correlation effects in the XX's pp orbitals, which gives rise to a rich interlayer magnetic interaction with remarkable tunability.

Keywords

Cite

@article{arxiv.2305.00870,
  title  = {Interlayer superexchange in bilayer chromium trihalides},
  author = {Kok Wee Song},
  journal= {arXiv preprint arXiv:2305.00870},
  year   = {2023}
}

Comments

8+8 pages, 5 figures, including supplemental materials and minor corrections

R2 v1 2026-06-28T10:22:33.584Z