Insights into the microstructure and transition mechanism for Nd³⁺-doped Bi₄Si₃O₁₂: A promising near-infrared laser material

Feiyang CHEN, Meng JU, Xiaoyu KUANG, Yau Yuen YEUNG

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3 Citations (Scopus)

Abstract

Due to its unusual optical properties, neodymium ion (Nd³⁺)-doped bismuth silicate (Bi₄Si₃O₁₂, BSO) is widely used for its excellent medium laser amplification in physics, chemistry, biomedicine, and other research fields. Although the spectral transitions and luminescent mechanisms of Nd³⁺-doped BSO have been investigated experimentally, theoretical research is severely limited due to the lack of detailed information about the microstructure and the doping site of Nd³⁺-doped BSO, as well as the electric and magnetic dipole transition mechanisms. Herein, we systematically study the microstructure and doping site of Nd³⁺-doped BSO using an unbiased CALYPSO structure search method in conjunction with first-principles calculations. The result indicates that the Nd³⁺ ion impurity occupies the host Bi3+ ion site with trigonal symmetry, forming a unique semiconducting phase. Based on our newly developed WEPMD method, the electric dipole and magnetic dipole transition lines, including a large number of absorption and emission lines, in the region of visible and near-infrared spectra of Nd³⁺-doped BSO are calculated. It is found that the ⁴G5/2 → ⁴I9/2, ²H9/2 → ⁴I9/2, and ⁴F3/2 → ⁴I11/2 channels are promising laser actions of Nd³⁺-doped BSO. These findings indicate that Nd³⁺-doped BSO crystals can serve as a promising multifunctional material for optical laser devices. Copyright © 2018 American Chemical Society.
Original languageEnglish
Pages (from-to)4563-4570
JournalInorganic Chemistry
Volume57
Issue number8
DOIs
Publication statusPublished - 2018

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Infrared lasers
laser materials
infrared lasers
Ions
magnetic dipoles
electric dipoles
microstructure
Microstructure
Lasers
Doping (additives)
lasers
Neodymium
Silicates
Bismuth
ions
neodymium
doped crystals
bismuth
Amplification
silicates

Citation

Chen, F., Ju, M., Kuang, X., & Yeung, Y. (2018). Insights into the microstructure and transition mechanism for Nd³⁺-doped Bi₄Si₃O₁₂: A promising near-infrared laser material. Inorganic Chemistry, 57(8), 4563–4570. doi: 10.1021/acs.inorgchem.8b00316