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

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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Бібліографічні деталі
Дата:2002
Автори: Shpak, A.P., Karbovskii, V.L., Vakhney, A.G., Kluyenko, L.P.
Формат: Стаття
Мова:English
Опубліковано: Інститут хімії поверхні ім. О.О. Чуйка НАН України 2002
Назва видання:Поверхность
Теми:
Surface properties of inorganic materials
Онлайн доступ:http://dspace.nbuv.gov.ua/handle/123456789/126352
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Назва журналу:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Цитувати: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
id irk-123456789-126352
record_format dspace
spelling irk-123456789-1263522017-11-21T03:02:50Z 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 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. 2002 Article 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 http://dspace.nbuv.gov.ua/handle/123456789/126352 en Поверхность Інститут хімії поверхні ім. О.О. Чуйка НАН України
institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
collection DSpace DC
language English
topic Surface properties of inorganic materials
Surface properties of inorganic materials
spellingShingle Surface properties of inorganic materials
Surface properties of inorganic materials
Shpak, A.P.
Karbovskii, V.L.
Vakhney, A.G.
Kluyenko, L.P.
Spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite
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.
format Article
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.
author_sort Shpak, A.P.
title 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_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_sort spectral and quantum-mechanical study of electronic structure of ultradispersed calcium hydroxyapatite
publisher Інститут хімії поверхні ім. О.О. Чуйка НАН України
publishDate 2002
topic_facet Surface properties of inorganic materials
url http://dspace.nbuv.gov.ua/handle/123456789/126352
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.
series Поверхность
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AT karbovskiivl spectralandquantummechanicalstudyofelectronicstructureofultradispersedcalciumhydroxyapatite
AT vakhneyag spectralandquantummechanicalstudyofelectronicstructureofultradispersedcalciumhydroxyapatite
AT kluyenkolp spectralandquantummechanicalstudyofelectronicstructureofultradispersedcalciumhydroxyapatite
first_indexed 2023-10-18T20:50:37Z
last_indexed 2023-10-18T20:50:37Z
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