Тип публикации: статья из журнала

Год издания: 2020

Идентификатор DOI: 10.1080/00150193.2020.1722015

Ключевые слова: ab initio calculation, absorption spectrum, band structure, hoga3(bo3)4

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 theoПоказать полностьюry. 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. © 2020, © 2020 Taylor & Francis Group, LLC.

Журнал: Ferroelectrics

Выпуск журнала: Vol. 559, Is. 1

Номера страниц: 135-140

ISSN журнала: 00150193

• Krylova S.N. (RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB, Krasnoyarsk, Russia)
• Aleksandrovsky A.S. (RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB, Krasnoyarsk, Russia; Siberian Fed Univ, Krasnoyarsk, Russia)
• Roginskii E.M. (Ioffe Inst, St Petersburg, Russia; St Petersburg State Univ, St Petersburg, Russia)
• Krylov A.A. (Moscow Inst Phys & Technol, Dolgoprudnyi, Russia)
• Gudim I.A. (RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB, Krasnoyarsk, Russia)
• Vtyurin A.N. (RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB, Krasnoyarsk, Russia; Siberian Fed Univ, Krasnoyarsk, Russia)

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