Band structure of LaPO₄
Vernadsky National Library of Ukraine
Переглянути архів Інформація| Поле | Співвідношення | |
| Title |
Band structure of LaPO₄
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| Creator |
Syrotyuk, S.V.
Chornodolskyy, Ya.M. Vistovskyy, V.V. Voloshinovskii, A.S. Gektin, A.V. |
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| Subject |
Modeling and simulation
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| 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.
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| Date |
2017-06-11T06:14:54Z
2017-06-11T06:14:54Z 2013 |
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| Type |
Article
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| Identifier |
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 |
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| Language |
en
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| Relation |
Functional Materials
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| Publisher |
НТК «Інститут монокристалів» НАН України
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