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Localized States Mo...
Localized States Model of GeS2 Glasses Based on Electronic States of GenSm Clusters Calculated by Using TD-DFT Method
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Holomb, R. (författare)
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Mitsa, V. (författare)
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- Johansson, Patrik, 1969 (författare)
- Chalmers tekniska högskola,Chalmers University of Technology
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(creator_code:org_t)
- 2005
- 2005
- Engelska.
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Ingår i: Journal of Optoelectronics and Advanced Materials. - 1454-4164. ; 7:4, s. 1881-1888
- Relaterad länk:
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https://research.cha...
Abstract
Ämnesord
Stäng
- 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(T-i). 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-GexS100-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.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Annan teknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Other Engineering and Technologies (hsv//eng)
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- art (ämneskategori)
- ref (ämneskategori)
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