Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite

• Published in: Поверхность
• Date: 2002
• Main Authors: Shpak, A.P., Karbovskii, V.L., Vakhney, A.G., Kluyenko, L.P.
• Format: Article
• Language: English
• Published: Інститут хімії поверхні ім. О.О. Чуйка НАН України 2002
• Subjects: Surface properties of inorganic materials
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/126352
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite / A.P. Shpak, V.L. Karbovskii, A.G. Vakhney, L.P. Kluyenko // Поверхность. — 2002. — Вип. 7-8. — С. 57-68. — Бібліогр.: 12 назв. — англ.

The regularities of electronic structure of calcium hydroxyapatite samples of different genealogy were investigated by X-ray, IR spectroscopy methods and by quantum-mechanical calculations - Xa and LMTO (methods of the band theory). The evolution of valence band and charge states of atoms is describ...