Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

The electronic structure and dielectric properties of the diamond, body centered cubic diamond (bc8), and hexagonal diamond (lonsdaleite) phases of carbon are computed using density functional theory and many-body perturbation theory with the emphasis on the excitonic picture of the solid phases relevant in the regimes of high-pressure physics and warm dense matter. We also discuss the capabilities of reproducing the inelastic x-ray scattering spectra in comparison with the existing models in light of recent x-ray scattering experiments on carbon and carbon bearing materials in the Megabar range.