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A New KBBF-Family Nonlinear Optical Material with Strong Interlayer Bonding

机译:一种新的KBBF系列非线性光学材料,具有强相粘接

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摘要

A new beryllium-free borate Rb3Ba3Li2Al4B6O20F features a layered structure analogous to that of the solely available deep-ultraviolet nonlinear optical (NLO) material KBe2BO3F2 (KBBF), and thus preserves its outstanding linear and nonlinear optical properties to a great extent. Furthermore, the interlayer bonding in Rb3Ba3Li2Al4-B6O20F is significantly reinforced, with a magnitude of more than 15.6 times that of KBBF. As a result, a bulk Rb3Ba3Li2Al4B6O20F crystal is successfully grown in the preliminary experiments. The result demonstrates that the Rb3Ba3Li2Al4B6O20F crystal may have no (or only a tiny) layering growth habit, which severely hinders the practical applications of KBBF. Notably, Rb3Ba3Li2Al4B6O20F overcomes the structural instability problem present in the notable KBBF-family member Sr2Be2B2O7. These results make Rb3Ba3Li2Al4B6O20F a promising candidate for the next generation of deep-ultraviolet NLO materials. First-principles calculations are performed to elucidate the optical properties and structural stability.
机译:一种新的无铍硼酸硼酸RB3BA3LI2AL4B6O20F具有类似于仅可用的深紫外线非线性光学(NLO)材料KBE2BO3F2(KBBF)的层状结构,因此在很大程度上保持其优异的线性和非线性光学性能。此外,RB3BA3LI2AL4-B6O20F中的中间层键合显着增强,其大小超过KBBF的15.6倍。结果,在初步实验中成功地生长了散装RB3Ba3Li2Al4B6O20F晶体。结果表明,RB3BA3LI2AL4B6O20F晶体可能没有(或仅为微小的)分层生长习性,这严重阻碍了KBBF的实际应用。值得注意的是,RB3BA3LI2AL4B6O20F克服了标记KBBF系列成员SR2BE2B2O7中存在的结构不稳定问题。这些结果使RB3BA3LI2AL4B6O20F成为下一代深层紫外线材料的有希望的候选者。进行第一原理计算以阐明光学性质和结构稳定性。

著录项

  • 来源
    《Crystal growth & design》 |2017年第8期|共6页
  • 作者单位

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Fujian Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Fujian Peoples R China;

    Chinese Acad Sci Tech Inst Phys &

    Chem Beijing Ctr Crystal R&

    D Key Lab Funct Crystals &

    Laser Technol Beijing 100190 Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Fujian Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Fujian Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Fujian Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Fujian Peoples R China;

    Chinese Acad Sci Tech Inst Phys &

    Chem Beijing Ctr Crystal R&

    D Key Lab Funct Crystals &

    Laser Technol Beijing 100190 Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Fujian Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
  • 关键词

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