Correlation between the electronic structure, effective mass and thermoelectric properties of rare earth tellurides Ba2MYTe5 (M = Ga, In)

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43926158" target="_blank" >RIV/49777513:23640/15:43926158 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c5ra07678a" target="_blank" >http://dx.doi.org/10.1039/c5ra07678a</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c5ra07678a" target="_blank" >10.1039/c5ra07678a</a>

Result language
angličtina
Original language name
Correlation between the electronic structure, effective mass and thermoelectric properties of rare earth tellurides Ba2MYTe5 (M = Ga, In)
Original language description
Rare earth telluride compounds, namely Ba2MYTe5 (M= Ga, In), are the focus of this work due to their semiconducting nature, optoelectronic and thermoelectric properties. Their band gaps lie in the range of 1.08 to 1.36 eV, providing these compounds withopto- and thermo-electric properties. Here, we have studied the rare earth telluride single crystals of Ba2MYTe5 (M=Ga, In) using the full potential linearized augmented plane wave package WIEN2k. The direct band gaps were calculated using the modified Becke-Johnson approach which is in good agreement with the band gaps obtained from diffuse reflectance spectra. The density of states reveals a strong hybridization between Y 5s/4p, Ga 3d, Te 5p and Y 4d orbitals, indicative of covalent bonding. Besides,the electronic charge density contour discloses a mix of ionic and covalent bonding between the elements. We also report the thermoelectric properties studied through the temperature dependent electronic and thermal conductivities, as wel
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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