TY - JOUR
T1 - Growth, Structural, First-Principles Calculations and Spectroscopic Characterization of Undoped and Er3+-Doped NaSrY(MoO4)3Disordered Laser Crystals
AU - Zuo, Chunyu
AU - Yang, Yimin
AU - Meng, Yinxia
AU - Li, Weina
AU - Chen, Rujia
AU - Li, Chenglong
AU - Li, Xinying
AU - Huo, Yuliang
AU - Chang, Ming
AU - Yang, Weiling
AU - Li, Chun
AU - Lin, Hai
AU - Liu, Lina
AU - Li, Shasha
AU - Zeng, Fanming
N1 - Publisher Copyright:
© 2025 American Chemical Society
PY - 2025/9/17
Y1 - 2025/9/17
N2 - This study reports the growth of NaSrY(MoO4)3(NSYM) and xEr3+:NaSrY1–x(MoO4)3disordered single crystals using the top-seeded solution growth (TSSG) method and for the first time presents the structural characteristics and spectroscopic properties of these crystals. Single-crystal analysis indicates that the crystals belong to the tetragonal system with space group I41/a. Due to the random occupation of Na+, Sr2+, and Y3+cations at the same lattice sites in a 1:1:1 stoichiometric ratio, Er3+doping further enhances the structural disorder, resulting in significant inhomogeneous broadening of the absorption and emission spectra. Key parameters such as refractive index distribution, band structure, density of states, and elastic constants were calculated based on density functional theory (DFT). Judd–Ofelt theory was used to quantitatively analyze the spectral parameters of Er3+ions. The agreement between experimental and theoretical analyses indicates that Er:NSYM crystals, with their unique spectroscopic properties, have significant potential as gain media in tunable laser applications.
AB - This study reports the growth of NaSrY(MoO4)3(NSYM) and xEr3+:NaSrY1–x(MoO4)3disordered single crystals using the top-seeded solution growth (TSSG) method and for the first time presents the structural characteristics and spectroscopic properties of these crystals. Single-crystal analysis indicates that the crystals belong to the tetragonal system with space group I41/a. Due to the random occupation of Na+, Sr2+, and Y3+cations at the same lattice sites in a 1:1:1 stoichiometric ratio, Er3+doping further enhances the structural disorder, resulting in significant inhomogeneous broadening of the absorption and emission spectra. Key parameters such as refractive index distribution, band structure, density of states, and elastic constants were calculated based on density functional theory (DFT). Judd–Ofelt theory was used to quantitatively analyze the spectral parameters of Er3+ions. The agreement between experimental and theoretical analyses indicates that Er:NSYM crystals, with their unique spectroscopic properties, have significant potential as gain media in tunable laser applications.
UR - https://www.scopus.com/pages/publications/105016089446
U2 - 10.1021/acs.cgd.5c00892
DO - 10.1021/acs.cgd.5c00892
M3 - Article
AN - SCOPUS:105016089446
SN - 1528-7483
VL - 25
SP - 7701
EP - 7713
JO - Crystal Growth and Design
JF - Crystal Growth and Design
IS - 18
ER -