Optical properties of the HoGa3(BO3)4 crystal: experiment and ab initio calculation
URI (для ссылок/цитирований):
https://www.tandfonline.com/doi/full/10.1080/00150193.2020.1722015https://elib.sfu-kras.ru/handle/2311/142993
Автор:
Krylova, S
Aleksandrovsky, A
Roginskii, E
Krylov, A
Gudim, I
Vtyurin, A
Коллективный автор:
Институт инженерной физики и радиоэлектроники
Базовая кафедра фотоники и лазерных технологий
Дата:
2020-04Журнал:
FerroelectricsКвартиль журнала в Scopus:
Q3Квартиль журнала в Web of Science:
Q4Библиографическое описание:
Krylova, S. Optical properties of the HoGa3(BO3)4 crystal: experiment and ab initio calculation [Текст] / S Krylova, A Aleksandrovsky, E Roginskii, A Krylov, I Gudim, A Vtyurin // Ferroelectrics. — 2020. — Т. 559 (№ 1). — С. 135-140Текст статьи не публикуется в открытом доступе в соответствии с политикой журнала.
Аннотация:
Single crystal of HoGa3(BO3)4 has been grown using solution-melt synthesis. The optical band gap determined from the measured absorption spectrum is due to direct allowed transition and equals to 4.14 eV. The optical properties of this crystal are calculated by the plane-wave pseudo-potential method based on density functional theory. The structure of the crystal has been optimized. The electronic structure of HoGa3(BO3)4 is calculated. The experimental and theoretical fundamental absorption spectra are compared. The calculated bandgap is in good agreement with the experimental data.