Local atomic arrangement in LaCuAl3 and LaAuAl3 by NMR and density functional theory

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F19%3A10395804" target="_blank" >RIV/00216208:11320/19:10395804 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=y20nx2Wd19" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=y20nx2Wd19</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/1361-648X/ab27ac" target="_blank" >10.1088/1361-648X/ab27ac</a>

Result language
angličtina
Original language name
Local atomic arrangement in LaCuAl3 and LaAuAl3 by NMR and density functional theory
Original language description
CeCuAl3 and CeAuAl3, crystallizing in the non-centrosymmetric BaNiSn3 tetragonal structure, are known mainly for their unusual neutron scattering spectra involving additional excitations ascribed to vibron quasi-bound quantum state in CeCuAl3 and anti-crossing of phonon and crystal field excitations in CeCuAl3. In this work, we present results of nuclear magnetic resonance (NMR) experiments on their lanthanum analogues-LaCuAl3 and LaAuAl3. The character of NMR spectra of La-139, Al-27, and Cu-65 measured in LaAuAl3 and LaCuAl3 is dominated by electric quadrupole interaction. The spectral parameters acquired from experimental data are confronted with values obtained from the electronic structure calculations. The results show remarkable differences for the two compounds. The La-139 spectrum in LaAuAl3 can be interpreted by a single spectral component corresponding to uniform environment of La atoms in the crystal structure, whereas for LaCuAl3 the spectrum decomposition yields a wide distribution of spectral parameters, which is not possible to explain by a single La environment, and multiple non-equivalent La positions in the crystal structure are required to interpret the spectrum.
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/GC17-04925J" target="_blank" >GC17-04925J: Multi-Component Electronic Correlations in Non-Centrosymmetric f-Electron Compounds</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

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

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