Specific Features of Li5La3M2O12 (M = Nb, Ta) Single Crystals: Electrolyte for Solid States Batteries

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43922656" target="_blank" >RIV/49777513:23640/14:43922656 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1166/sam.2014.1931" target="_blank" >http://dx.doi.org/10.1166/sam.2014.1931</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1166/sam.2014.1931" target="_blank" >10.1166/sam.2014.1931</a>

Result language

angličtina

Original language name

Specific Features of Li5La3M2O12 (M = Nb, Ta) Single Crystals: Electrolyte for Solid States Batteries

Original language description

Density functional theory and Boltzmann transport equations are employed to calculate the termoelectric transport coefficients, electronic structure and optical properties of bulk garnet-like oxides Li5La3M2O12 (M=Nb,Ta) single crystals. The calculated energy band structure and density of states disclose a metallic nature for both compounds. Li5La3Nb2O12 possesses a greater density of states around Fermi level than Li5La3Ta2O12, which is due to the Nb/Ta-d states. The calculated electronic charge density of both compounds indicates a dominant ionic character of chemical bonding. Optical susceptibilities, including the real and imaginary parts of the optical dielectric functions, reflectivity and energy loss function, are calculated. The reflectivity ofthe investigated compounds reaches 60% in the UV region. The maximum peaks in the energy loss function are due to the plasmon resonance with the decreasing energy of electrons instead of surface plasmon loss. The Seebeck coefficients, po

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BE - Theoretical physics

OECD FORD branch

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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)

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Science of Advanced Materials

ISSN

1947-2935

e-ISSN

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Volume of the periodical

6

Issue of the periodical within the volume

8

Country of publishing house

US - UNITED STATES

Number of pages

11

Pages from-to

1716-1726

UT code for WoS article

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EID of the result in the Scopus database

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