2013/10/11 by Matteo Gatti, Francesco Sottile · 1 voice
Physics and Astronomy · Materials Science · #Physics of Superconductivity and Magnetism #Ga2O3 and related materials #Electronic and Structural Properties of Oxides
paper · doi:10.1103/physrevb.88.155113
openalex publication_date 2013/10/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a scheme to calculate exciton dispersions in real materials that is based on the first-principles many-body Bethe-Salpeter equation. We assess its high level of accuracy by comparing our results for LiF with recent inelastic x-ray scattering experimental data on a wide range of energy and momentum transfer. We show its great analysis power by investigating the role of the different electron-hole interactions that determine the exciton band structure and the peculiar ``exciton revival'' at large momentum transfer. Our calculations for solid argon are a prediction and a suggestion for future experiments. These results demonstrate that the first-principles Bethe-Salpeter equation is able to describe the dispersion of localized and delocalized excitons on equal footing and represent a key step for the ab initio study of the exciton mobility.