Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary Arsenides ACdGeAs2 (A= K, Rb)

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43925972" target="_blank" >RIV/49777513:23640/15:43925972 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.materresbull.2015.05.044" target="_blank" >http://dx.doi.org/10.1016/j.materresbull.2015.05.044</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.materresbull.2015.05.044" target="_blank" >10.1016/j.materresbull.2015.05.044</a>

Result language
angličtina
Original language name
Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary Arsenides ACdGeAs2 (A= K, Rb)
Original language description
Chalcopyrite semiconductors have attracted much attention due to their potential implications in photovoltaic and thermoelectric applications. First principle calculations were performed to investigate the electronic, optical and thermoelectric properties of the Zintl tetragonal phase ACdGeAs2 (A = K, Rb) using the full potential linear augmented plane wave method and the Engle-Vosko GGA (EV-GGA) approximation. The present compounds are found semiconductors with direct band gap and covalent bonding character. The optical transitions are investigated via the dielectric function (real and imaginary parts) along with other related optical constants including refractive index, reflectivity and energy-loss spectrum. Combining results from DFT and Boltzmanntransport theory, we reported the thermoelectric properties such as the Seebeck's coefficient, electrical and thermal conductivity, figure of merit and power factor as function of temperatures. The present Chalcopyrite Zintl quaternary Ar
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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