Ab-initio dielectric response function of diamond and other relevant high pressure phases of carbon

Abstract

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.

25 pages, 25 figures

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Cited by in corpus (8)

• Electronic Density Response of Warm Dense Matter
• First principles simulations of dense hydrogen
• First-principles modeling of plasmons in aluminum under ambient and extreme conditions
• X-ray Thomson scattering spectra from DFT-MD simulations based on a modified Chihara formula
• Prediction of a roton-type feature in warm dense hydrogen
• Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors
• The structure in warm dense carbon
• Theory of parametric x-ray optical wavemixing processes