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arXiv · 1408.5284

Band Gaps and Optical Spectra from Single- and Double-Layer Fluorographene to Graphite Fluoride: Many-Body Effects and Excitonic States

František Karlický·Michal Otyepka
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Abstract

We compare first-principle band gaps and optical absorption spectra of single- and double-layer fluorographene with bulk graphite fluoride. The electronic properties are calculated using the many-body GW approximation and the optical spectra using the Bethe-Salpeter equation (BSE). The inclusion of electron-hole interactions is crucial for predicting low energy excitonic absorption peaks. The position of the first exciton peak is identical in single-, double- and multilayer fluorographene, which may indicate that the onset of the absorption spectra does not differ in these materials.

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František Karlický, Michal Otyepka. 2014-08-22. Band Gaps and Optical Spectra from Single- and Double-Layer Fluorographene to Graphite Fluoride: Many-Body Effects and Excitonic States. https://doi.org/10.1002/andp.201400095

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