Electronic Structure, Electronic Charge Density and Optical Properties Analyses of Rb2Al2B2O7 Compound: DFT Calculation
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43920817" target="_blank" >RIV/49777513:23640/14:43920817 - 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 Analyses of Rb2Al2B2O7 Compound: DFT Calculation
Original language description
We have presented an analysis of some important electronic and optical characteristics of the Rb2Al2B2O7 compound, based on the ab initio calculations of its electronic band structure, electronic charge density and dielectric tensor function. The band gap is found to be indirect of about 4.156, 4.471 and 5.205 eV for LDA, GGA and EVGGA respectively.
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 Electrochemical Science
ISSN
1452-3981
e-ISSN
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Volume of the periodical
9
Issue of the periodical within the volume
2
Country of publishing house
RS - THE REPUBLIC OF SERBIA
Number of pages
15
Pages from-to
975-989
UT code for WoS article
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EID of the result in the Scopus database
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