Ontology highlight
ABSTRACT:
SUBMITTER: Fukui H
PROVIDER: S-EPMC6815120 | biostudies-literature | 2019 Oct
REPOSITORIES: biostudies-literature
Proceedings of the National Academy of Sciences of the United States of America 20191009 43
Electronic structures of dense solid oxygen have been investigated up to 140 GPa with oxygen <i>K</i>-edge X-ray Raman scattering spectroscopy with the help of ab initio calculations based on density functional theory with semilocal metageneralized gradient approximation and nonlocal van der Waals density functionals. The present study demonstrates that the transition energies (Pi*, Sigma*, and the continuum) increase with compression, and the slopes of the pressure dependences then change at 94 ...[more]