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-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-point electrons and holes at different twist angle ranges: a Hubbard regime for small twist angles θ<2∘, 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∘<θ≲10∘, characterized by the appearance of arrays of quasi-1D states; and finally, a ballistic regime at large twist angles θ≳10∘, 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.
@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