Exploring the electronic structure and optical properties of new inorganic luminescent materials Ba(Si,Al)(5)(O,N)(8) compounds for light-emitting diodes devices

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43928066" target="_blank" >RIV/49777513:23640/15:43928066 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.cap.2015.06.025" target="_blank" >http://dx.doi.org/10.1016/j.cap.2015.06.025</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cap.2015.06.025" target="_blank" >10.1016/j.cap.2015.06.025</a>

Result language
angličtina
Original language name
Exploring the electronic structure and optical properties of new inorganic luminescent materials Ba(Si,Al)(5)(O,N)(8) compounds for light-emitting diodes devices
Original language description
Due to growing demand on discovering new materials for light-emitting diodes devices, many efforts were made to discover and characterize new inorganic materials such as phosphors. Using the full potential method within density functional theory the electronic and optical properties of BaAl2Si3O4N4 and BaAlSi4O3N5 semiconductors have been investigated. The electronic structure and the optical properties of these phosphors were calculated through a reliable approach of modified Beck-Johnson (mBJ) approach. We found that BaAl2Si3O4N4 and BaAlSi4O3N5 have wide direct band gaps positioned at Gamma about 5.846 and 4.96 eV respectively. The optical properties, namely the dielectric function, optical reflectivity, refractive index and electron energy loss, are reported for radiation up to 15 eV. Our study suggests that BaAl2Si3O4N4 and BaAlSi4O3N5 could be promising materials for applications in the LEDs devices and optoelectronics areas of research.
Czech name
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Czech description
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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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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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