Valence electron distribution in zirconium dodecaboride
First-principles calculations of the valence electron distribution in ZrB₁₂ have been performed by the modified Thomas-Fermi statistical method. The charge destiny maps for some planes across Zr and B atoms are presented and discussed. Directional bonding intoduced by born atoms in the crystal latti...
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| Дата: | 2006 |
|---|---|
| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2006
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| Назва видання: | Functional Materials |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/135063 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Valence electron distribution in zirconium dodecaboride / V.B. Filippov, Yu.B. Paderno, M.A. Belogovskii, A.A. Gusev, I. Felner // Functional Materials. — 2006. — Т. 13, № 4. — С. 628-630. — Бібліогр.: 14 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-135063 |
|---|---|
| record_format |
dspace |
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irk-123456789-1350632018-06-15T03:07:45Z Valence electron distribution in zirconium dodecaboride Filippov, V.B. Paderno, Yu.B. Belogovskii, M.A. Gusev, A.A. Felner, I. First-principles calculations of the valence electron distribution in ZrB₁₂ have been performed by the modified Thomas-Fermi statistical method. The charge destiny maps for some planes across Zr and B atoms are presented and discussed. Directional bonding intoduced by born atoms in the crystal lattice explains the superhardness of the material. 2006 Article Valence electron distribution in zirconium dodecaboride / V.B. Filippov, Yu.B. Paderno, M.A. Belogovskii, A.A. Gusev, I. Felner // Functional Materials. — 2006. — Т. 13, № 4. — С. 628-630. — Бібліогр.: 14 назв. — англ. 1027-5495 http://dspace.nbuv.gov.ua/handle/123456789/135063 en Functional Materials НТК «Інститут монокристалів» НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| description |
First-principles calculations of the valence electron distribution in ZrB₁₂ have been performed by the modified Thomas-Fermi statistical method. The charge destiny maps for some planes across Zr and B atoms are presented and discussed. Directional bonding intoduced by born atoms in the crystal lattice explains the superhardness of the material. |
| format |
Article |
| author |
Filippov, V.B. Paderno, Yu.B. Belogovskii, M.A. Gusev, A.A. Felner, I. |
| spellingShingle |
Filippov, V.B. Paderno, Yu.B. Belogovskii, M.A. Gusev, A.A. Felner, I. Valence electron distribution in zirconium dodecaboride Functional Materials |
| author_facet |
Filippov, V.B. Paderno, Yu.B. Belogovskii, M.A. Gusev, A.A. Felner, I. |
| author_sort |
Filippov, V.B. |
| title |
Valence electron distribution in zirconium dodecaboride |
| title_short |
Valence electron distribution in zirconium dodecaboride |
| title_full |
Valence electron distribution in zirconium dodecaboride |
| title_fullStr |
Valence electron distribution in zirconium dodecaboride |
| title_full_unstemmed |
Valence electron distribution in zirconium dodecaboride |
| title_sort |
valence electron distribution in zirconium dodecaboride |
| publisher |
НТК «Інститут монокристалів» НАН України |
| publishDate |
2006 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/135063 |
| citation_txt |
Valence electron distribution in zirconium dodecaboride / V.B. Filippov, Yu.B. Paderno, M.A. Belogovskii, A.A. Gusev, I. Felner // Functional Materials. — 2006. — Т. 13, № 4. — С. 628-630. — Бібліогр.: 14 назв. — англ. |
| series |
Functional Materials |
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AT filippovvb valenceelectrondistributioninzirconiumdodecaboride AT padernoyub valenceelectrondistributioninzirconiumdodecaboride AT belogovskiima valenceelectrondistributioninzirconiumdodecaboride AT gusevaa valenceelectrondistributioninzirconiumdodecaboride AT felneri valenceelectrondistributioninzirconiumdodecaboride |
| first_indexed |
2023-10-18T21:09:25Z |
| last_indexed |
2023-10-18T21:09:25Z |
| _version_ |
1796152066404515840 |