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Título: | Exciton dispersion from first principles |
Autor: | Gatti, Matteo; Sottile, Francesco | Fecha de publicación: | oct-2013 | Editor: | American Physical Society | Citación: | Physical Review B 88: 155113 (2013) | Resumen: | 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. | Versión del editor: | http://dx.doi.org/10.1103/PhysRevB.88.155113 | URI: | http://hdl.handle.net/10261/95073 | DOI: | 10.1103/PhysRevB.88.155113 | ISSN: | 1098-0121 | E-ISSN: | 1550-235X |
Aparece en las colecciones: | (CFM) Artículos |
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Exciton dispersion.pdf | 2,3 MB | Adobe PDF | Visualizar/Abrir |
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