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- W2030256677 abstract "Analysis of the F-centre's optical absorption indicates that the radii of centres with large cation neighbours are greater than the radii of those with smaller neighbours. We resolve this apparent conflict with the Pauli exclusion principle by calculating the rms radii of point-ion model wave functions orthogonalized to the occupied core states of nearest-neighbour ions. Orthogonality to s-like ion-core states shifts defect charge toward neighbours' nuclei. This yields negligible change in rms size, but a large increase in hyperfine interaction, an effect established by ENDOR. Orthogonalization to p-like core states relocates charge lying between the F-centre and the ions to the outer sides of the ions expanding the defect charge distribution. The larger the neighbours, the greater is the expansion." @default.
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- W2030256677 date "2001-11-01" @default.
- W2030256677 modified "2023-09-26" @default.
- W2030256677 title "Ion-size effects and the spatial extent of defects" @default.
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- W2030256677 doi "https://doi.org/10.1080/10420150108214090" @default.
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