3d-electrons contribution to cohesive energy of 3d-metals
In this paper a model for 3d-subsystem of transition 3d-metals has been proposed and used for calculation of the cohesive energy dependent on 3d-band filling of particular metal, its bandwidth and effective intra-atomic interaction value. It has been shown that the model enables one to explain the...
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| Дата: | 2018 |
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| Автор: | |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2018
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/157041 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | 3d-electrons contribution to cohesive energy of 3d-metals / L. Didukh // Condensed Matter Physics. — 2018. — Т. 21, № 1. — С. 13701: 1–7. — Бібліогр.: 26 назв. — англ. |
Репозитарії
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irk-123456789-1570412019-06-20T01:29:41Z 3d-electrons contribution to cohesive energy of 3d-metals Didukh, L. In this paper a model for 3d-subsystem of transition 3d-metals has been proposed and used for calculation of the cohesive energy dependent on 3d-band filling of particular metal, its bandwidth and effective intra-atomic interaction value. It has been shown that the model enables one to explain the observed peculiarities of cohesive energy effect on the atomic number. The nature of two parabolic dependencies of cohesive energy on 3d-band filling has been clarified. The calculated values of cohesive energy are close to those experimentally obtained for Sc-Ti-V-Cr-Mn-Fe series. В роботi запропоновано модель пiдсистеми 3d-електронiв перехiдних металiв та застосовано її для розрахунку енергiї зв’язку, залежної вiд заповнення 3d-зони конкретного металу, ширини цiєї зони та величини ефективної внутрiшньоатомної взаємодiї. Показано, що модель дозволяє пояснити спостережуванi особливостi залежностi енергiї зв’язку вiд атомного номера. Пояснено природу двох параболiчних залежностей енергiї зв’язку вiд заповнення 3d-зони. Обчисленi значення енергiї зв’язку є близькими до отриманих експериментально для ряду Sc-Ti-V-Cr-Mn-Fe. 2018 Article 3d-electrons contribution to cohesive energy of 3d-metals / L. Didukh // Condensed Matter Physics. — 2018. — Т. 21, № 1. — С. 13701: 1–7. — Бібліогр.: 26 назв. — англ. 1607-324X PACS: 71.10.Fd, 71.15.Nc DOI:10.5488/CMP.21.13701 arXiv:1706.06979 http://dspace.nbuv.gov.ua/handle/123456789/157041 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| description |
In this paper a model for 3d-subsystem of transition 3d-metals has been proposed and used for calculation of
the cohesive energy dependent on 3d-band filling of particular metal, its bandwidth and effective intra-atomic
interaction value. It has been shown that the model enables one to explain the observed peculiarities of cohesive
energy effect on the atomic number. The nature of two parabolic dependencies of cohesive energy on 3d-band
filling has been clarified. The calculated values of cohesive energy are close to those experimentally obtained
for Sc-Ti-V-Cr-Mn-Fe series. |
| format |
Article |
| author |
Didukh, L. |
| spellingShingle |
Didukh, L. 3d-electrons contribution to cohesive energy of 3d-metals Condensed Matter Physics |
| author_facet |
Didukh, L. |
| author_sort |
Didukh, L. |
| title |
3d-electrons contribution to cohesive energy of 3d-metals |
| title_short |
3d-electrons contribution to cohesive energy of 3d-metals |
| title_full |
3d-electrons contribution to cohesive energy of 3d-metals |
| title_fullStr |
3d-electrons contribution to cohesive energy of 3d-metals |
| title_full_unstemmed |
3d-electrons contribution to cohesive energy of 3d-metals |
| title_sort |
3d-electrons contribution to cohesive energy of 3d-metals |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2018 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/157041 |
| citation_txt |
3d-electrons contribution to cohesive energy of 3d-metals / L. Didukh // Condensed Matter Physics. — 2018. — Т. 21, № 1. — С. 13701: 1–7. — Бібліогр.: 26 назв. — англ. |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
AT didukhl 3delectronscontributiontocohesiveenergyof3dmetals |
| first_indexed |
2023-05-20T17:51:24Z |
| last_indexed |
2023-05-20T17:51:24Z |
| _version_ |
1796154250902896640 |