Specific features of the electronic structure and optical properties of skutterudites LaFe4X12 (X = P, As and Sb)

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F15%3A43926194" target="_blank" >RIV/49777513:23640/15:43926194 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.optmat.2015.06.019" target="_blank" >http://dx.doi.org/10.1016/j.optmat.2015.06.019</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.optmat.2015.06.019" target="_blank" >10.1016/j.optmat.2015.06.019</a>

Result language
angličtina
Original language name
Specific features of the electronic structure and optical properties of skutterudites LaFe4X12 (X = P, As and Sb)
Original language description
We have reported comprehensive calculation for electronic band structure, density of states, Fermi surface and the optical properties of LaFe4X12 (X = P, As and Sb) compounds. The experimental lattice constant and the two internal free parameters u and vwere optimized by minimizing the total energy using the full potential linear augmented plane wave (FPLAPW + lo) method within the local density approximation (LDA).
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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