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https://elib.bsu.by/handle/123456789/259544| Title: | Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes |
| Authors: | Zhikol, O. A. Luzanov, A. V. Omelchenko, I. V. Pushkarchuk, A. L. Pushkarchuk, V. A. Nizovstev, A. P. Kilin, S. Y. Bezyazychnaya, T. V. Kuten, S. A. |
| Keywords: | ЭБ БГУ::ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ::Физика |
| Issue Date: | 2018 |
| Publisher: | Scientific and Technological Corporation |
| Citation: | Funct Mater 2018;25(2):337-341. |
| 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. © 2018 - STC "Institute for Single Crystals". |
| URI: | https://elib.bsu.by/handle/123456789/259544 |
| DOI: | 10.15407/fm25.02.337 |
| Scopus: | 85049122551 |
| Appears in Collections: | Статьи НИУ «Институт ядерных проблем» |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 18-Zhikol.pdf | 606,21 kB | Adobe PDF | View/Open |
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