The carbon K-shell near-edge absorption fine structure of both diamond and graphite has been calculated by the multiple-scattering method and by a single-particle self-consistent pseudo-atomic-orbital band-theory method. We compare the results of these two calculations with experiment, and show that they both give agreement with the experimental near-edge structure.

• Received 24 January 1989

DOI:https://doi.org/10.1103/PhysRevB.40.4175