Physical Review B

Fine structure of the Ca 2p x-ray-absorption edge for bulk compounds, surfaces, and interfaces

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The fine structure of the Ca 2p soft-x-ray-absorption edge is studied for a variety of bulk compounds (Ca metal, CaSi2, CaO, and CaF2), for surfaces and interfaces [CaF2(111), BaF2 on CaF2(111), Ca and CaF2 on Si(111)], and for defects (F centers in CaF2). The observed multiplet structure is explained by atomic calculations in a crystal field [cubic Oh for the bulk and threefold C3v for the (111) surfaces and interfaces]. While the bulk spectra are isotropic, the surface and interface spectra exhibit a pronounced polarization dependence, which is borne out by the calculations. This effect can be used to become surface and/or interface selective via polarization-modulation experiments, even for buried interfaces. A change in valence from Ca2+ to Ca1+ causes a downwards energy shift and extra multiplet lines according to the calculation. The energy shift is observed for F centers at the CaF2 surface and for the CaF2/Si(111) interface. © 1991 The American Physical Society.