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説明:

Single crystals of the non-centrosymmetric oxysulfides Ln3Ga3Ge2S3O10 (Ln = La, Ce, Pr, Nd) in a hexagonal space group P-62c were grown by a flux crystal growth method using a eutectic BaCl2–NaCl molten salt. Single-crystal X-ray diffraction analysis of them revealed that the Ga and Ge atoms were located on the 6g and 4f sites, which were tetrahedrally coordinated with two O and two S atoms, and four O atoms, respectively. In the structure, the GaS2O2 and GeO4 tetrahedra form 1_∞[Ga3S3O3] triangular tubes and Ge2O7 tetrahedral dimers aligned along the c axis, which are surrounded by LaS2O6 square prisms in the ab plane. Neutron powder diffraction studies on polycrystalline samples of La3Ga3Ge2S3O10, and Nd3Ga3Ge2S3O10 which were prepared by high-temperature solid state reactions supported the Ga/Ge cation order determined by the single-crystal structure analysis. UV-vis-NIR absorption spectra revealed band gaps larger than 4.60 eV for La3Ga3Ge2S3O10, Pr3Ga3Ge2S3O10, and Nd3Ga3Ge2S3O10, while Ce3Ga3Ge2S3O10 was found to have a small band gap value of 3.51 eV because of Ce-4f1 electronic configuration.

権利情報:

• cc-by-nc-3.0
  

キーワード: flux crystal growth, oxysulfide, nonlinear optical materials, bandgap engineering

刊行年月日: 2025-06-12

出版者: Royal Society of Chemistry (RSC)

掲載誌:

• Dalton Transactions (ISSN: 14779226) vol. 54 issue. 26 p. 10433-10440

研究助成金:

• Japan Society for the Promotion of Science 25K01657
• Japan Society for the Promotion of Science 25H01652
• Japan Society for the Promotion of Science JPJSBP120237714
• Japan Society for the Promotion of Science JPJSCCA20200004
• Murata Science and Education Foundation
• Japan Society for the Promotion of Science 25K01507

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1039/d5dt01100k

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更新時刻: 2025-07-02 16:30:25 +0900

MDRでの公開時刻: 2025-07-02 16:24:28 +0900