Polarization-dependent excitons and plasmon activity in nodal-line semimetal ZrSiS
arXiv:2105.13285 · doi:10.1039/D1CP03315H
Abstract
The optical properties of bulk ZrSiS nodal-line semimetal are theoretically studied within a many-body formalism. The G0W0 bands are similar to those calculated within the density functional theory, except near the Γ point; in particular, no significant differences are found around the Fermi energy. On the other hand, the solution of the Bethe-Salpeter equation reveals a significant excitonic activity, mostly as dark excitons which appear in a wide energy range. Bright excitons, on the contrary, are less numerous, but their location and intensity depend greatly on the polarization of the incident electric field, as the absorption coefficient itself does. The binding energy of these excitons correlate well with their spatial distribution functions. In any case, a good agreement with available experimental data for absorption-reflection is achieved. Finally, the possible activation of plasma oscillations at low energies is discarded, because these are damped by producing electron-hole pairs, more importantly for q along the Γ-M path.
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