Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations
The electronic structure, magnetism as well as the excited-state properties such as the optical and x-ray magnetic circular dichroism (XMCD) spectra of the Heusler alloys Co₂TiSn and Co₂ZrSn were investigated theoretically from first principles using the fully relativistic Dirac LMTO band structu...
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| Дата: | 2005 |
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| Автори: | , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2005
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/119751 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations / L.V. Bekenov, V.N. Antonov, A.P. Shpak, A.N. Yaresko // Condensed Matter Physics. — 2005. — Т. 8, № 3(43). — С. 565–577. — Бібліогр.: 38 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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irk-123456789-1197512017-06-09T03:02:47Z Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations Bekenov, L.V. Antonov, V.N. Shpak, A.P. Yaresko, A.N. The electronic structure, magnetism as well as the excited-state properties such as the optical and x-ray magnetic circular dichroism (XMCD) spectra of the Heusler alloys Co₂TiSn and Co₂ZrSn were investigated theoretically from first principles using the fully relativistic Dirac LMTO band structure method. The origin of the XMCD spectra at the Co L₂,₃ edges in the compounds is examined. Densities of valence states, orbital and spin magnetic moments as well as optical spectra are analyzed and discussed. The calculated results are compared with the available experimental data. Використовуючи повністю релятивістський діраківський ЛМТО метод зонних розрахунків було теоретично досліджено електронну структуру, магнітні властивості та властивості збудженого стану, такі як оптичні спектри та спектри рентгенівського магнітного циркулярного дихроїзму, сплавів Гейслера Co₂TiSn та Co₂ZrSn. з’ясовано походження L₂,₃-спектрів рентгенівського циркулярного магнітного дихроїзму на атомах кобальту. Проаналізовано та обговорено щільності валентних станів, величини орбітального та спінового магнітних моментів та оптичні спектри. Результати розрахунків порівняно з експериментальними даними. 2005 Article Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations / L.V. Bekenov, V.N. Antonov, A.P. Shpak, A.N. Yaresko // Condensed Matter Physics. — 2005. — Т. 8, № 3(43). — С. 565–577. — Бібліогр.: 38 назв. — англ. 1607-324X PACS: 71.28.+d, 71.25.Pi, 75.30.Mb DOI:10.5488/CMP.8.3.565 http://dspace.nbuv.gov.ua/handle/123456789/119751 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 |
The electronic structure, magnetism as well as the excited-state properties
such as the optical and x-ray magnetic circular dichroism (XMCD) spectra
of the Heusler alloys Co₂TiSn and Co₂ZrSn were investigated theoretically
from first principles using the fully relativistic Dirac LMTO band structure
method. The origin of the XMCD spectra at the Co L₂,₃ edges in the compounds
is examined. Densities of valence states, orbital and spin magnetic
moments as well as optical spectra are analyzed and discussed. The calculated
results are compared with the available experimental data. |
| format |
Article |
| author |
Bekenov, L.V. Antonov, V.N. Shpak, A.P. Yaresko, A.N. |
| spellingShingle |
Bekenov, L.V. Antonov, V.N. Shpak, A.P. Yaresko, A.N. Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations Condensed Matter Physics |
| author_facet |
Bekenov, L.V. Antonov, V.N. Shpak, A.P. Yaresko, A.N. |
| author_sort |
Bekenov, L.V. |
| title |
Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations |
| title_short |
Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations |
| title_full |
Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations |
| title_fullStr |
Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations |
| title_full_unstemmed |
Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations |
| title_sort |
electronic structure and excited-state properties of co₂tisn and co₂zrsn from ab initio calculations |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2005 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/119751 |
| citation_txt |
Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations / L.V. Bekenov, V.N. Antonov, A.P. Shpak, A.N. Yaresko // Condensed Matter Physics. — 2005. — Т. 8, № 3(43). — С. 565–577. — Бібліогр.: 38 назв. — англ. |
| series |
Condensed Matter Physics |
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