Наукова електронна бібліотека
періодичних видань НАН України
періодичних видань НАН України
Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes
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| dc.contributor.author | Zhikol, O.A. | |
| dc.contributor.author | Luzanov, A.V. | |
| dc.contributor.author | Omelchenko, I.V. | |
| dc.contributor.author | Pushkarchuk, A.L. | |
| dc.contributor.author | Pushkarchuk, V.A. | |
| dc.contributor.author | Nizovstev, A.P. | |
| dc.contributor.author | Kilin, S.Ya. | |
| dc.contributor.author | Bezyazychnaya, T.V. | |
| dc.contributor.author | Kuten', S.A. | |
| dc.date.accessioned | 2019-06-19T16:21:47Z | |
| dc.date.available | 2019-06-19T16:21:47Z | |
| dc.date.issued | 2018 | |
| dc.identifier.citation | Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes / O.A. Zhikol, A.V. Luzanov, I.V. Omelchenko, A.L. Pushkarchuk, V.A. Pushkarchuk, A.P. Nizovstev, S.Ya. Kilin, T.V. Bezyazychnaya, S.A. Kuten' // Functional Materials. — 2018. — Т. 25, № 2. — С. 337-341. — Бібліогр.: 29 назв. — англ. | uk_UA |
| dc.identifier.issn | 1027-5495 | |
| dc.identifier.other | DOI:https://doi.org/10.15407/fm25.02.337 | |
| dc.identifier.uri | http://dspace.nbuv.gov.ua/handle/123456789/157143 | |
| dc.description.abstract | We studied electronic properties of the ground and lowest excited states of SiC defective nanoclusters falling into 3C, 2H and 4H polymorphic types. The standard time-dependent DFT method was used along with the economical model-core-potential approximation. Basing on our earlier works, we performed the corresponding excited state structural analysis and show for the lowest triplet-triplet ransition a significant effect of excitation localization in the defect vicinity. | uk_UA |
| dc.language.iso | en | uk_UA |
| dc.publisher | НТК «Інститут монокристалів» НАН України | uk_UA |
| dc.relation.ispartof | Functional Materials | |
| dc.subject | Modeling and simulation | uk_UA |
| dc.title | Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes | uk_UA |
| dc.type | Article | uk_UA |
| dc.status | published earlier | uk_UA |
