Physics
Scientific paper
Mar 1973
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1973gecoa..37..583t&link_type=abstract
Geochimica et Cosmochimica Acta, vol. 37, Issue 3, pp.583-594
Physics
5
Scientific paper
Quantitative molecular orbital calculations are reported for Mg, Al and Si in tetrahedral and octahedral coordination with oxygen. These calculations are employed to assign and interpret the ME , ME and OK X-ray emission spectra of the corresponding oxides. The interpretation of the MK spectrum reproduces the observed trends in main peak and satellite energies with variation of metal, ligand and geometry. The splitting of the main K peak, observed in many oxides, is found to be a result of interaction between adjacent metal atoms. The calculations also reproduce the observed trends in OK spectra. The electronic structures of the various oxides are discussed briefly.
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