One-Electron Interpretation of Optical Absorption and Soft-X-Ray Data in MgO
- 15 December 1973
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 8 (12), 5920-5933
- https://doi.org/10.1103/physrevb.8.5920
Abstract
The electronic structure of magnesium oxide is investigated, using both molecular-cluster and energy-band representations within the Hartree-Fock-Slater scheme. Predictions of the simple one-electron model are correlated with x-ray data; some previous controversies are resolved and additional features explained. The results also suggest that the prominent optical-absorption peak at 10.8 eV may be due to an intraband exciton previously identified in alkali-halide and rare-gas crystal spectra.Keywords
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