English

Moir\'e band structures of twisted phosphorene bilayers

Mesoscale and Nanoscale Physics 2022-06-23 v2

Abstract

We report on the theoretical electronic spectra of twisted phosphorene bilayers exhibiting moir\'e patterns, as computed by means of a continuous approximation to the moir\'e superlattice Hamiltonian. Our model is constructed by interpolating between effective Γ\Gamma-point conduction- and valence-band Hamiltonians for the different stacking configurations approximately realized across the moir\'e supercell, formulated on symmetry grounds. We predict the realization of three distinct regimes for Γ\Gamma-point electrons and holes at different twist angle ranges: a Hubbard regime for small twist angles θ<2\theta < 2^\circ, where the electronic states form arrays of quantum-dot-like states, one per moir\'e supercell; a Tomonaga-Luttinger regime at intermediate twist angles 2<θ102^\circ < \theta \lesssim 10^\circ, characterized by the appearance of arrays of quasi-1D states; and finally, a ballistic regime at large twist angles θ10\theta \gtrsim 10^\circ, where the band-edge states are delocalized, with dispersion anisotropies modulated by the twist angle. Our method correctly reproduces recent results based on large-scale ab initio calculations at a much lower computational cost, and with fewer restrictions on the twist angles considered.

Keywords

Cite

@article{arxiv.2204.02514,
  title  = {Moir\'e band structures of twisted phosphorene bilayers},
  author = {Isaac Soltero and Jonathan Guerrero-Sánchez and Francisco Mireles and David A. Ruiz-Tijerina},
  journal= {arXiv preprint arXiv:2204.02514},
  year   = {2022}
}

Comments

Journal accepted version. 20 pages, including 11 figures and 5 appendices

R2 v1 2026-06-24T10:39:11.677Z