Pseudo-atomic-orbital band theory applied to electron-energy-loss near-edge structures

Xudong Weng, Peter Rez, O. F. Sankey

Research output: Contribution to journalArticlepeer-review

50 Scopus citations


The near-edge structure in inner-shell spectroscopy is a product of the slowly varying matrix element and the appropriate projected density of states. We have made use of the self-consistent pseudo-atomic-orbital band-structurecalculation method to produce accurate projected density of states. Our calculation is in good agreement with the K near-edge structure of diamond, silicon, cubic SiC, and Be2C, and the L near-edge structure of Si and SiC. We found for the diamond K near-edge structure that the reported core exciton does not affect the near-edge structure at an energy resolution of about 1 eV. We also show, for the first time, that Si L2,3 near-edge structure can be interpreted using a ground-state model and that the s-projected density of states is significant near threshold.

Original languageEnglish (US)
Pages (from-to)5694-5704
Number of pages11
JournalPhysical Review B
Issue number8
StatePublished - 1989

ASJC Scopus subject areas

  • Condensed Matter Physics


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