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

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.

References in corpus (3)

• Fluorographene: Two Dimensional Counterpart of Teflon
• Efficient $\mathcal{O}(N^2)$ approach to solve the Bethe-Salpeter equation for excitonic bound states
• Band gaps and structural properties of graphene halides and their derivates: A hybrid functional study with localized orbital basis sets

Cited by in corpus (1)

• Strong 1D localization and highly anisotropic electron-hole masses in heavy-halogen functionalized graphenes