Ab initio study of the valence-electron relaxation effect on x-ray-emission spectra and the excitonic effect on electron-energy-loss spectra of the Si L sub 2,3 edge

Journal Article · Sun Dec 15 04:00:00 EST 1991 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.44.13393· OSTI ID:5525050

Ma, H; Lin, S H; Carpenter, R W; Sankey, O F ^[1]

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1. Center for Solid State Science, Tempe, Arizona 85287-1704 (United States)

The valence-band-electron relaxation effect on x-ray-emission spectra and the excitonic effect on electron-energy-loss spectra of the Si {ital L}{sub 2,3} edge were studied using an {ital ab} {ital initio} self-consistent pseudo-atomic-orbital method with large unit cells. Comparisons of our theoretical results with experimental x-ray-emission and electron-energy-loss spectra of the Si {ital L}{sub 2,3} edge suggest that there is very little relaxation of valence-band electrons before the 2{ital p} core hole is filled by one of the valence electrons. When including the excitonic effect in electron-energy-loss near-edge-structure calculations, the valence band should therefore be kept the same as the ground state.

• DOE Contract Number: FG02-87ER45305
• OSTI ID: 5525050
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 44:24; ISSN 0163-1829; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360606* -- Other Materials-- Physical Properties-- (1992-)
BAND THEORY
CHEMICAL ANALYSIS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY LEVELS
EXCITONS
L SHELL
NONDESTRUCTIVE ANALYSIS
QUASI PARTICLES
RELAXATION
SELF-CONSISTENT FIELD
SEMIMETALS
SILICON
VALENCE
X-RAY EMISSION ANALYSIS