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
1
4
6
8
Тип публикации: Journal Article
Дата публикации: 2020-01-23
PubMed ID:
31979242
General Materials Science
Краткое описание
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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Oreshonkov A. S. et al. Structural, Electronic and Vibrational Properties of YAl3(BO3)4 // Materials. 2020. Vol. 13. No. 3. p. 545.
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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.
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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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@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}
}
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MLA
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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.