Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite
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...
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| Published in: | Поверхность |
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| Date: | 2002 |
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| Format: | Article |
| Language: | English |
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Інститут хімії поверхні ім. О.О. Чуйка НАН України
2002
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| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/126352 |
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| 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. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862577361172561920 |
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| author | Shpak, A.P. Karbovskii, V.L. Vakhney, A.G. Kluyenko, L.P. |
| author_facet | Shpak, A.P. Karbovskii, V.L. Vakhney, A.G. Kluyenko, L.P. |
| citation_txt | 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. |
| collection | DSpace DC |
| container_title | Поверхность |
| description | 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 described. It was established that distribution of p- and d-electronic states of calcium in samples of calcium hydroxyapatite of different origin is practically identical. Beside a high ionic component, covalent and hydrogen bonds are present in calcium hydroxyapatite. The indirect metal-metal interaction is observed in a metal sublattice. It was shown that a sublattice of the phosphatic tetrahedra determines the shape and main features of a valence band of calcium hydroxyapatite. The lack of a part of calcium ions in the nonstoichiometric samples results in weakening of P-O bond within a mirror plane. An influence of the crystal-ultradispersed state transition on the shaping of X-ray emission spectra was first investigated. Considerable localisation of metal d-states is observed in the ultradispersed hydroxyapatite samples.
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| first_indexed | 2025-11-26T15:21:53Z |
| format | Article |
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| id | nasplib_isofts_kiev_ua-123456789-126352 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | XXXX-0106 |
| language | English |
| last_indexed | 2025-11-26T15:21:53Z |
| publishDate | 2002 |
| publisher | Інститут хімії поверхні ім. О.О. Чуйка НАН України |
| record_format | dspace |
| spelling | Shpak, A.P. Karbovskii, V.L. Vakhney, A.G. Kluyenko, L.P. 2017-11-20T18:27:04Z 2017-11-20T18:27:04Z 2002 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. XXXX-0106 https://nasplib.isofts.kiev.ua/handle/123456789/126352 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 described. It was established that distribution of p- and d-electronic states of calcium in samples of calcium hydroxyapatite of different origin is practically identical. Beside a high ionic component, covalent and hydrogen bonds are present in calcium hydroxyapatite. The indirect metal-metal interaction is observed in a metal sublattice. It was shown that a sublattice of the phosphatic tetrahedra determines the shape and main features of a valence band of calcium hydroxyapatite. The lack of a part of calcium ions in the nonstoichiometric samples results in weakening of P-O bond within a mirror plane. An influence of the crystal-ultradispersed state transition on the shaping of X-ray emission spectra was first investigated. Considerable localisation of metal d-states is observed in the ultradispersed hydroxyapatite samples. en Інститут хімії поверхні ім. О.О. Чуйка НАН України Поверхность Surface properties of inorganic materials Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite Article published earlier |
| spellingShingle | Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite Shpak, A.P. Karbovskii, V.L. Vakhney, A.G. Kluyenko, L.P. Surface properties of inorganic materials |
| title | Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite |
| title_full | Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite |
| title_fullStr | Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite |
| title_full_unstemmed | Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite |
| title_short | Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite |
| title_sort | spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite |
| topic | Surface properties of inorganic materials |
| topic_facet | Surface properties of inorganic materials |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/126352 |
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