Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compound
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Optoelectronic and transport properties of Zintl phase KBa2Cd2Sb3 compound
Original language description
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
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BE - Theoretical physics
OECD FORD branch
—
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
Computational Materials Science
ISSN
0927-0256
e-ISSN
—
Volume of the periodical
95
Issue of the periodical within the volume
prosinec 2014
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
9
Pages from-to
328-336
UT code for WoS article
000343781700044
EID of the result in the Scopus database
—