Ab initio dielectric response function of diamond and other relevant high pressure phases of carbon
Ab initio dielectric response function of diamond and other relevant high pressure phases of carbon
Ramakrishna, K.; Vorberger, J.
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.
Keywords: high pressure effects; dielectric functions; warm dense matter
-
Journal of Physics: Condensed Matter 32(2020)9, 095401
Online First (2019) DOI: 10.1088/1361-648x/ab558e
Cited 16 times in Scopus
Downloads
- Final Draft PDF 1,2 MB Secondary publication
Permalink: https://www.hzdr.de/publications/Publ-29991
Publ.-Id: 29991