Phys. Rev. Lett. 50, 1215–1218 (1983)One-Electron Broken-Symmetry Approach to the Core-Hole Spectra of SemiconductorsReceived 22 November 1982; published in the issue dated 18 April 1983 It is shown that in contrast to band theory, a self-consistent one-electron model with broken symmetries (crystal orbitals are not constrained to be Bloch periodic) provides a physical description of core-ionization, core-exciton, and core-to-conduction-band transition energies in semiconductors. Application to GaP shows that a hitherto unrecognized factor—the screening of the core-hole self-energy by the electron orbit—can explain many of the outstanding puzzles in core-hole spectra. © 1983 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.50.1215
DOI:
10.1103/PhysRevLett.50.1215
PACS:
71.35.+z, 71.50.+t, 78.20.-e
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