Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compound
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43922655" target="_blank" >RIV/49777513:23640/14:43922655 - isvavai.cz</a>
Výsledek na webu
<a href="http://dx.doi.org/10.1016/j.commatsci.2014.07.031" target="_blank" >http://dx.doi.org/10.1016/j.commatsci.2014.07.031</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.commatsci.2014.07.031" target="_blank" >10.1016/j.commatsci.2014.07.031</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compound
Popis výsledku v původním jazyce
The electronic structure, optical response and transport properties of KBa2Cd2Sb3 compound were calculated using the state-of-the-art all electron full potential linear augmented plane wave (FPLAPW)method. The calculated band structure and density of states exhibit an energy gap of about 0.71 eV. Close agreement was found among the optimized atomic positions, calculated bond lengths, bond angles and the experimental data. The bonding nature of KBa2Cd2Sb3 was investigated using the calculated charge density contour plot. Additionally the complex dielectric function, refractive index, absorption coefficient, reflectivity and energy loss function were calculated and discussed in detail. The investigated optical parameters show high effectiveness for improvement of optoelectronic devices. The calculated uniaxial anisotropy value (0.01327) confirm there existence a considerable anisotropy among the spectral components of dielectric function and its derivatives. The investigation of electric
Název v anglickém jazyce
Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compound
Popis výsledku anglicky
The electronic structure, optical response and transport properties of KBa2Cd2Sb3 compound were calculated using the state-of-the-art all electron full potential linear augmented plane wave (FPLAPW)method. The calculated band structure and density of states exhibit an energy gap of about 0.71 eV. Close agreement was found among the optimized atomic positions, calculated bond lengths, bond angles and the experimental data. The bonding nature of KBa2Cd2Sb3 was investigated using the calculated charge density contour plot. Additionally the complex dielectric function, refractive index, absorption coefficient, reflectivity and energy loss function were calculated and discussed in detail. The investigated optical parameters show high effectiveness for improvement of optoelectronic devices. The calculated uniaxial anisotropy value (0.01327) confirm there existence a considerable anisotropy among the spectral components of dielectric function and its derivatives. The investigation of electric
Klasifikace
Druh
J<sub>x</sub> - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
CEP obor
BE - Teoretická fyzika
OECD FORD obor
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Návaznosti výsledku
Projekt
<a href="/cs/project/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centrum nových technologií a materiálů (CENTEM)</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2014
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Computational Materials Science
ISSN
0927-0256
e-ISSN
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Svazek periodika
95
Číslo periodika v rámci svazku
prosinec 2014
Stát vydavatele periodika
NL - Nizozemsko
Počet stran výsledku
9
Strana od-do
328-336
Kód UT WoS článku
000343781700044
EID výsledku v databázi Scopus
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