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...
Saved in:
| Published in: | Functional Materials |
|---|---|
| Date: | 2013 |
| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
| Published: |
НТК «Інститут монокристалів» НАН України
2013
|
| Subjects: | |
| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/120094 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | 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. |
Institution
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862744287261753344 |
|---|---|
| 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. |
| 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. |
| collection | DSpace DC |
| container_title | 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.
|
| first_indexed | 2025-12-07T20:35:16Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-120094 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1027-5495 |
| language | English |
| last_indexed | 2025-12-07T20:35:16Z |
| publishDate | 2013 |
| publisher | НТК «Інститут монокристалів» НАН України |
| record_format | dspace |
| spelling | Syrotyuk, S.V. Chornodolskyy, Ya.M. Vistovskyy, V.V. Voloshinovskii, A.S. Gektin, A.V. 2017-06-11T06:14:54Z 2017-06-11T06:14:54Z 2013 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 https://nasplib.isofts.kiev.ua/handle/123456789/120094 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. en НТК «Інститут монокристалів» НАН України Functional Materials Modeling and simulation Band structure of LaPO₄ Article published earlier |
| spellingShingle | Band structure of LaPO₄ Syrotyuk, S.V. Chornodolskyy, Ya.M. Vistovskyy, V.V. Voloshinovskii, A.S. Gektin, A.V. Modeling and simulation |
| title | Band structure of LaPO₄ |
| title_full | Band structure of LaPO₄ |
| title_fullStr | Band structure of LaPO₄ |
| title_full_unstemmed | Band structure of LaPO₄ |
| title_short | Band structure of LaPO₄ |
| title_sort | band structure of lapo₄ |
| topic | Modeling and simulation |
| topic_facet | Modeling and simulation |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/120094 |
| work_keys_str_mv | AT syrotyuksv bandstructureoflapo4 AT chornodolskyyyam bandstructureoflapo4 AT vistovskyyvv bandstructureoflapo4 AT voloshinovskiias bandstructureoflapo4 AT gektinav bandstructureoflapo4 |