Electronic Structure, Electronic Charge Density and Optical Properties of Organic -Inorganic Hybrid Semiconductor C2H6NTeZn.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43922003" target="_blank" >RIV/49777513:23640/14:43922003 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Electronic Structure, Electronic Charge Density and Optical Properties of Organic -Inorganic Hybrid Semiconductor C2H6NTeZn.
Original language description
The electronic structure, electronic charge density and optical properties of the organic-inorganic hybrid semiconductor C2H6NTeZn are premeditated by employing the full-potential density-functional technique. The band structure of our optimize crystal indicate semiconductor nature. For understanding the nature of chemical bonding in the investigated material, we calculate the electronic charge density in (110) and (010) crystallographic planes. From the density of states (DOS) study we emphasize that in the PDOS, the valence band maximum (VBM) is contributed strongly from the Zn-d state and a minor contribution from the hybridization of N-s and C-s states. The conduction band minimum is mainly formed from the Zn-s orbital while on the other hand smallcontribution from Te-p and Te-s states. Further more, we also have calculated the optical properties, to get a physical basis for latent application in optoelectronic devices.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BE - Theoretical physics
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centre of the New Technologies and Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
International Journal of Innovative Research in Science, Engineering and Technology
ISSN
2319-8753
e-ISSN
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Volume of the periodical
3
Issue of the periodical within the volume
2
Country of publishing house
IN - INDIA
Number of pages
10
Pages from-to
9579-9588
UT code for WoS article
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EID of the result in the Scopus database
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