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DC Field | Value | Language |
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dc.contributor.author | Holomb, R.M. | - |
dc.contributor.author | Mitsa, V.M. | - |
dc.contributor.author | Johansson, P. | - |
dc.contributor.author | Міца, Володимир Михайлович | uk |
dc.date.accessioned | 2015-10-11T11:58:03Z | - |
dc.date.available | 2015-10-11T11:58:03Z | - |
dc.date.issued | 2005 | - |
dc.identifier.uri | https://dspace.uzhnu.edu.ua/jspui/handle/lib/4319 | - |
dc.description.abstract | The first-principles calculation based on time dependent – density functional theory (TDDFT) reveals the origin of the molecular electronic structure and its connection to the localized states of the g-GeS2(Ti). The band gaps computed for GenSm clusters representing the local structures and their correlation to the experimental band gaps of g-GexS100-x together with possible model of band-tail states of g-GeS2 have been discussed. According to the observed results we propose to consider the band-gap states of g-exS100-x as superposition of electronic states of GenSm clusters. The type and concentration of these clusters are compositionally-dependent and influenced by technological conditions used for glass preparation. | uk |
dc.language.iso | en | uk |
dc.subject | Chalcogenide glasses | uk |
dc.subject | g-GeS2 | uk |
dc.subject | Band-tail states | uk |
dc.subject | GenSm cluster | uk |
dc.title | LOCALIZED STATES MODEL OF GeS2 GLASSES BASED ON ELECTRONIC STATES OF GenSm CLUSTERS CALCULATED BY USING TD-DFT METHOD | uk |
dc.type | Text | uk |
dc.pubType | Стаття | uk |
Appears in Collections: | Наукові публікації кафедри інформаційних управляючих систем та технологій |
Files in This Item:
File | Description | Size | Format | |
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08_OptAdvMat-2005.pdf | 179.14 kB | Adobe PDF | View/Open |
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