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V. L. KARBIVSKY, Yu. A. ZAGORODNIY, V. Kh. KASIYANENKO, S. S. SMOLYAK, and A. P. SHPAK
«Energy Landscape of Valence Electrons in Natural Apatites»
PACS numbers: 36.20.Kd, 71.23.-k, 76.60.-k, 78.30.Ly, 79.60.Jv, 82.80.Pv, 87.64.-t
X-ray photoelectron spectroscopy, IR spectroscopy, NMR high-resolution spectroscopy, and quantum-mechanical calculations are combined to study features of the electronic structure of natural apatites. Investigations are carried out on samples of human native bone, mineral apatite and synthetic apatite. As revealed, in human native bone, an ionic contribution to the chemical bond between calcium and oxygen ions exceeds that in synthetic apatite. As shown, in mineral apatites, calcium 3d-shell demonstrates pronounced atomic character. In human native bone, the degree of ionic contribution to the chemical bond between phosphorus and oxygen essentially exceeds the same in synthetic and mineral apatites. This fact indicates an increase of the ionic contribution to the chemical bond in a crystal as a whole.