Skip navigation
Please use this identifier to cite or link to this item: https://libeldoc.bsuir.by/handle/123456789/34083
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. Ya.
Bezyazychnaya, T. V.
Kuten', S.A.
Keywords: публикации ученых;nanoparticles;carborundum polytypes;density functional theory;TDDFT;model core potentials;excited state localization
Issue Date: 2018
Publisher: Institute for Single Crystal, Ukraine
Citation: Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes / O. A. Zhikol and other // Functional Materials. – 2018. – №25(2). – P. 337 – 341. – DOI: 10.15407/fm25.02.337.
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 transition a significant effect of excitation localization in the defect vicinity.
URI: https://libeldoc.bsuir.by/handle/123456789/34083
Appears in Collections:Публикации в зарубежных изданиях

Files in This Item:
File Description SizeFormat 
Zhikol_Use.pdf613.45 kBAdobe PDFView/Open
Show full item record


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.