Open Access
Structural, Electronic and Vibrational Properties of YAl3(BO3)4
Aleksandr S. Oreshonkov
1, 2
,
E. M. Roginskii
3
,
Nikolai P Shestakov
1
,
Irina A. Gudim
4
,
Vladislav L Temerov
4
,
I. V. Nemtsev
5
,
Maxim S. Molokeev
6, 7
,
Sergey V Adichtchev
8
,
Alexey M. Pugachev
8
,
Yuriy G Denisenko
9, 10
8
Publication type: Journal Article
Publication date: 2020-01-23
PubMed ID:
31979242
General Materials Science
Abstract
The crystal structure of YAl3(BO3)4 is obtained by Rietveld refinement analysis in the present study. The dynamical properties are studied both theoretically and experimentally. The experimental Raman and Infrared spectra are interpreted using the results of ab initio calculations within density functional theory. The phonon band gap in the Infrared spectrum is observed in both trigonal and hypothetical monoclinic structures of YAl3(BO3)4. The electronic band structure is studied theoretically, and the value of the band gap is obtained. It was found that the YAl3(BO3)4 is an indirect band gap dielectric material.
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29
Total citations:
29
Citations from 2024:
11
(37.93%)
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GOST
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Oreshonkov A. S. et al. Structural, Electronic and Vibrational Properties of YAl3(BO3)4 // Materials. 2020. Vol. 13. No. 3. p. 545.
GOST all authors (up to 50)
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Oreshonkov A. S., Roginskii E. M., Shestakov N. P., Gudim I. A., Temerov V. L., Nemtsev I. V., Molokeev M. S., Adichtchev S. V., Pugachev A. M., Denisenko Y. G. Structural, Electronic and Vibrational Properties of YAl3(BO3)4 // Materials. 2020. Vol. 13. No. 3. p. 545.
Cite this
RIS
Copy
TY - JOUR
DO - 10.3390/ma13030545
UR - https://doi.org/10.3390/ma13030545
TI - Structural, Electronic and Vibrational Properties of YAl3(BO3)4
T2 - Materials
AU - Oreshonkov, Aleksandr S.
AU - Roginskii, E. M.
AU - Shestakov, Nikolai P
AU - Gudim, Irina A.
AU - Temerov, Vladislav L
AU - Nemtsev, I. V.
AU - Molokeev, Maxim S.
AU - Adichtchev, Sergey V
AU - Pugachev, Alexey M.
AU - Denisenko, Yuriy G
PY - 2020
DA - 2020/01/23
PB - MDPI
SP - 545
IS - 3
VL - 13
PMID - 31979242
SN - 1996-1944
ER -
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BibTex (up to 50 authors)
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@article{2020_Oreshonkov,
author = {Aleksandr S. Oreshonkov and E. M. Roginskii and Nikolai P Shestakov and Irina A. Gudim and Vladislav L Temerov and I. V. Nemtsev and Maxim S. Molokeev and Sergey V Adichtchev and Alexey M. Pugachev and Yuriy G Denisenko},
title = {Structural, Electronic and Vibrational Properties of YAl3(BO3)4},
journal = {Materials},
year = {2020},
volume = {13},
publisher = {MDPI},
month = {jan},
url = {https://doi.org/10.3390/ma13030545},
number = {3},
pages = {545},
doi = {10.3390/ma13030545}
}
Cite this
MLA
Copy
Oreshonkov, Aleksandr S., et al. “Structural, Electronic and Vibrational Properties of YAl3(BO3)4.” Materials, vol. 13, no. 3, Jan. 2020, p. 545. https://doi.org/10.3390/ma13030545.