Gallium preference for the occupation of tetrahedral sites in Lu3(Al5-xGax)O12 multicomponent garnet scintillators according to solid-state nuclear magnetic resonance and density functional theory calculations

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00504691" target="_blank" >RIV/68378271:_____/19:00504691 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11320/19:10395117
Result on the web
<a href="https://doi.org/10.1016/j.jpcs.2018.10.027" target="_blank" >https://doi.org/10.1016/j.jpcs.2018.10.027</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jpcs.2018.10.027" target="_blank" >10.1016/j.jpcs.2018.10.027</a>

Result language
angličtina
Original language name
Gallium preference for the occupation of tetrahedral sites in Lu3(Al5-xGax)O12 multicomponent garnet scintillators according to solid-state nuclear magnetic resonance and density functional theory calculations
Original language description
In this study, the distributions of aluminum and gallium atoms over the tetrahedral and octahedral sites in the garnet structure were investigated in mixed Lu3Al5-xGaxO12 crystals by using 27Al and 71Ga magic angle spinning nuclear magnetic resonance (NMR) and single crystal 71Ga NMR. The experimental study was supported by theoretical calculations based on density functional theory (DFT) in order to predict the trends in terms of the substitutions of Al by Ga in the mixed garnets. Both the experimental and theoretical results indicated the nonuniform distribution of Al and Ga over the tetrahedral and octahedral sites in the garnet structure, with a strong preference for Ga occupying the tetrahedral sites in the garnet structure at all Ga concentrations, despite Ga having a larger ionic radius than Al and tetrahedrons being smaller than octahedrons.n
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/GA17-09933S" target="_blank" >GA17-09933S: Local structure and charge trapping phenomena in novel scintillating materials with tailored composition</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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