Band structure of LaPO₄
The calculations of band structure of LaPO₄ crystal of monoclinic and hexagonal lattice symmetry is performed using the PAW formalism and taking into account the strong local correlations in the PBE0 GGA approximation. The obtained results are in good agreement with the experimental ones obtained fr...
Збережено в:
| Дата: | 2013 |
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| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2013
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| Назва видання: | Functional Materials |
| Теми: | |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120094 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Band structure of LaPO₄ / S.V. Syrotyuk, Ya.M. Chornodolskyy, V.V. Vistovskyy, A.S. Voloshinovskii, A.V. Gektin // Functional Materials. — 2013. — Т. 20, № 3. — С. 373-377. — Бібліогр.: 17 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-120094 |
|---|---|
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dspace |
| spelling |
irk-123456789-1200942017-06-12T03:04:00Z Band structure of LaPO₄ Syrotyuk, S.V. Chornodolskyy, Ya.M. Vistovskyy, V.V. Voloshinovskii, A.S. Gektin, A.V. Modeling and simulation The calculations of band structure of LaPO₄ crystal of monoclinic and hexagonal lattice symmetry is performed using the PAW formalism and taking into account the strong local correlations in the PBE0 GGA approximation. The obtained results are in good agreement with the experimental ones obtained from the luminescence excitation spectra of intrinsic emission of LaPO₄ crystal. The calculation of the partial electron state density of LaPO₄ crystal is performed and the nature of the various states in the overall density formation is explained. 2013 Article Band structure of LaPO₄ / S.V. Syrotyuk, Ya.M. Chornodolskyy, V.V. Vistovskyy, A.S. Voloshinovskii, A.V. Gektin // Functional Materials. — 2013. — Т. 20, № 3. — С. 373-377. — Бібліогр.: 17 назв. — англ. 1027-5495 DOI: dx.doi.org/10.15407/fm20.03.373 http://dspace.nbuv.gov.ua/handle/123456789/120094 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 |
| topic |
Modeling and simulation Modeling and simulation |
| spellingShingle |
Modeling and simulation Modeling and simulation Syrotyuk, S.V. Chornodolskyy, Ya.M. Vistovskyy, V.V. Voloshinovskii, A.S. Gektin, A.V. Band structure of LaPO₄ Functional Materials |
| description |
The calculations of band structure of LaPO₄ crystal of monoclinic and hexagonal lattice symmetry is performed using the PAW formalism and taking into account the strong local correlations in the PBE0 GGA approximation. The obtained results are in good agreement with the experimental ones obtained from the luminescence excitation spectra of intrinsic emission of LaPO₄ crystal. The calculation of the partial electron state density of LaPO₄ crystal is performed and the nature of the various states in the overall density formation is explained. |
| format |
Article |
| author |
Syrotyuk, S.V. Chornodolskyy, Ya.M. Vistovskyy, V.V. Voloshinovskii, A.S. Gektin, A.V. |
| author_facet |
Syrotyuk, S.V. Chornodolskyy, Ya.M. Vistovskyy, V.V. Voloshinovskii, A.S. Gektin, A.V. |
| author_sort |
Syrotyuk, S.V. |
| title |
Band structure of LaPO₄ |
| title_short |
Band structure of LaPO₄ |
| title_full |
Band structure of LaPO₄ |
| title_fullStr |
Band structure of LaPO₄ |
| title_full_unstemmed |
Band structure of LaPO₄ |
| title_sort |
band structure of lapo₄ |
| publisher |
НТК «Інститут монокристалів» НАН України |
| publishDate |
2013 |
| topic_facet |
Modeling and simulation |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120094 |
| citation_txt |
Band structure of LaPO₄ / S.V. Syrotyuk, Ya.M. Chornodolskyy, V.V. Vistovskyy, A.S. Voloshinovskii, A.V. Gektin // Functional Materials. — 2013. — Т. 20, № 3. — С. 373-377. — Бібліогр.: 17 назв. — англ. |
| series |
Functional Materials |
| work_keys_str_mv |
AT syrotyuksv bandstructureoflapo4 AT chornodolskyyyam bandstructureoflapo4 AT vistovskyyvv bandstructureoflapo4 AT voloshinovskiias bandstructureoflapo4 AT gektinav bandstructureoflapo4 |
| first_indexed |
2023-10-18T20:36:12Z |
| last_indexed |
2023-10-18T20:36:12Z |
| _version_ |
1796150631165067264 |