Author Affiliations
1CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Key Laboratory of Electronic Information Materials and Devices, the Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Urumqi 830011, China2Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, Chinashow less
Fig. 1. Crystal structure model of KBBF family.KBBF族晶体结构模型
Fig. 2. Second harmonic generation evolution from KBBF to Pb2BO3I.
从KBBF 到Pb2BO3I的倍频效应演进
Fig. 3. Ball-and-stick representations of NH
4Be
2BO
3F
2(ABBF)
[79,80].
NH
4Be
2BO
3F
2 (ABBF)晶体结构模型
[79,80] Fig. 4. Ball-and-stick representations of
AZn
2BO
3X2 (
A = K, Rb, NH
4) series
[63−81]: (a) NH
4Zn
2BO
3Cl
2; (b) KZn
2BO
3Cl
2; (c) RbZn
2BO
3Cl
2.
AZn
2BO
3X2 (
A = K, Rb, NH
4)系列晶体结构模型
[63−81] (a) NH
4Zn
2BO
3Cl
2; (b) KZn
2BO
3Cl
2; (c) RbZn
2BO
3Cl
2 Fig. 5. Ball-and-stick representations of KABO series
[50−52]: (a) K
2Al
2B
2O
7; (b)
-Rb
2Al
2B
2O
7.
KABO系列晶体结构模型
[50−52] (a) K
2Al
2B
2O
7; (b)
-Rb
2Al
2B
2O
7 Fig. 6. Ball-and-stick representations of Ba
3Mg
3(BO
3)
3F
3[87]: (a) Sr
2Be
2B
2O
7; (b) Ba
3Mg
3(BO
3)
3F
3.
Ba
3Mg
3(BO
3)
3F
3晶体结构模型
[87] (a) Sr
2Be
2B
2O
7; (b) Ba
3Mg
3(BO
3)
3F
3 Fig. 7. Ball-and-stick representations of Sr2Be2B2O7 and BaAl2B2O7.
Sr2Be2B2O7和BaAl2B2O7晶体结构模型
Fig. 8. Ball-and-stick representations of K3Sr3Li2Al4B6O20F and K3Ba3Li2Al4B6O20F (KBLABF).
K3Sr3Li2Al4B6O20F和K3Ba3Li2Al4B6O20F (KBLABF)的晶体结构模型
Fig. 9. Relationship of active group balance of fluorooxoborates among bandgap, NLO coefficient and birefringence
[68].
氟化硼酸盐的活性基团平衡“倍频效应-透过范围-双折射率”的关系
[68] Fig. 10. Crystal structures of the MB
4O
6F family
[92].
MB
4O
6F族氟化硼酸盐的晶体结构
[92] Fig. 11. Crystal structures of the series borates contain B—O covalent bond.层间由B—O共价键连接的系列硼酸盐晶体结构
化合物 | 空间群 | 结构 | 层间连接 | 紫外截止边/nm | deff (KDP)或dij/pm·V—1 | 注: 上标a为计算值. | NaBe2BO3F2[20] | C2
| [Be2BO3F2]∞ | Na+—F− | 155 | deff = 1.7 × deff (NH4H2PO4)
| KBe2BO3F2[20] | R32
| [Be2BO3F2]∞ | K+—F− | 147 | d11 = 0.47 ± 0.01
| RbBe2BO3F2[21] | R32
| [Be2BO3F2]∞ | Rb+—F− | 160 | d11 = 0.45 ± 0.01
| CsBe2BO3F2[22] | R32
| [Be2BO3F2]∞ | Cs+—F− | 151 | d11 = 0.5
| NH4Be2BO3F2[48] | R32
| [Be2BO3F2]∞ | N—H·F | 153 | 1.2 | \begin{document}$\gamma $\end{document}![]() -Be2BO3F[48] | R32
| [Be2BO3F2]∞ | Be2+—F− | 144.8 | 2.3 | RbZn2BO3Cl2[63,81] | R32
| [Zn2BO3Cl2]∞ | Rb+—Cl− | 198 | 2.9 | KZn2BO3Cl2[63,81] | R32
| [Zn2BO3Cl2]∞ | K+—Cl− | 193 | 3.0 | NH4Zn2BO3Cl2[63] | R32
| [Zn2BO3Cl2]∞ | N—H·Cl | 186 | 2.8 | Be2(BO3)F[43] | C2
| [Be2BO3F2]∞ | Be2+—F− | 150a | 0.25 | BaBe2BO3F3[43] | P63 | [Be2BO3F2]∞ | Ba2+—F− | < 185 | 0.1 | K2Al2B2O7[50,52] | P321
| [Al3B3O6]∞ | Al3+—O2− | 180 | 0.45 | K2(1-x)Na2xAl2BO7[88](0 < x < 0.6)
| P321
| [Al3B3O6]∞ | Al3+—O2− | 180 | 0.45 | K2(1−x)Rb2xAl2B2O7[82] (0 < x < 0.75)
| P321
| [Al3B3O6]∞ | Al3+—O2− | — | 0.7 | K0.67Rb1.33Al2B2O7[83] | P321
| [Al3B3O6]∞ | Al3+—O2− | 188 | 0.9 | \begin{document}$\beta$\end{document}![]() -Rb2Al2B2O7[51] | P321
| [Al3B3O6]∞ | Al3+—O2− | < 200 | 2.0 | BaAlBO3F2[84] | \begin{document}$ P{\overline 6}2c$\end{document}![]() ![]() | [AlBO3F2]∞ | Ba2+—F− | 165 | 2.0 | Rb3Al3B3O10F[54] | P31c
| [Al3(BO3)OF]∞ | Al3+—F−Al3+—O2− | < 200 | 1.2 | BaZnBO3F[64] | \begin{document}$ P{\overline 6}$\end{document}![]() ![]() | [ZnBO3F]∞ | Zn2+—O2− | — | 3 × deff | Ba3Mg3(BO3)3F3[87] | Pna21 | [Mg3O2F3(BO3)2]∞ | Ba2+—F− | 184 | d33 = 0.51
|
|
Table 1. Cmparison of structural and optical properties of some deep-UV NLO materials of KBBF family with adjacent layers connected by ionic bond and hydrogen bond.
层间含有离子键和氢键连接的类KBBF结构硼酸盐深紫外NLO材料的结构和光学性能比较
化合物 | 空间群 | 结构 | 层间连接 | 紫外截止边/nm | 倍频效应(KDP)或dij//pm·V−1 | Sr2Be2B2O7[39] | \begin{document}$ P{\overline 6}c2$\end{document}![]() ![]() | [Be2(BO3)2O]∞ | Sr2+—O2− | 155 | 2.5 | Ba2Be2B2O7[40,73] | \begin{document}$ P{\overline 6}2c$\end{document}![]() ![]() | [Be2(BO3)2O]∞ | Ba2+—O2− | 215 | 2.0 | BaAl2B2O7[52] | R32
| [Al6B6O12]∞ | Al3+—O2− | — | d11 = 0.75
| NaCaBe2B2O6F[41] | Cc | [Be3B3O6F3]∞ | Ca2+—O2− | 190 | 0.3 | K3Ba3Li2Al4B6O20F[55] | \begin{document}$ P{\overline 6}2c$\end{document}![]() ![]() | [Li2Al4B6O20F]∞ | Ba2+—O2− | 190 | 1.5 | Rb3Ba3Li2Al4B6O20F[89] | \begin{document}$ P{\overline 6}2c$\end{document}![]() ![]() | [Li2Al4B6O20F]∞ | Ba2+—O2− | 195 | 1.4 | K3Sr3Li2Al4B6O20F[57] | R32
| [Li2Al4B6O20F]∞ | Sr2+—O2− | 190 | 1.7 (0.9) | Cs2Al2(B3O6)2O[90] | P63 | [Al2(B3O6)2O]
| Al3+—O2− | 185 | d31 = 0.032
|
|
Table 2. Comparison of structural and optical properties of some deep-UV NLO materials of SBBO family.
SBBO型硼酸盐深紫外NLO材料的结构和光学性能比较
化合物 | 空间群 | 结构 | 层间连接方式 | 紫外截止边/nm | 倍频效应(KDP) | NH4B4O6F[69] | Pna21 | [B4O6F]∞ | N—H·F | 156 | 3.0 | CsB4O6F[71] | Pna21 | [B4O6F]∞ | Cs+—F− | 155 | 1.9 | RbB4O6F[70] | Pna21 | [B4O6F]∞ | Rb+—F− | < 190 | 0.8 | CsKB8O12F2[70] | P321
| [B4O6F]∞ | Cs/K+—F− | < 190 | 1.9 | CsRbB8O12F2[70] | \begin{document}$ P{\overline 6}2c$\end{document}![]() ![]() | [B4O6F]∞ | Cs/K+—F− | < 190 | 1.1 | NaB4O6F[72] | C2
| [B4O6F]∞ | Na+—F− | < 180 | 0.9 | SrB5O7F3[98] | Cmc21 | [B5O7F3]∞ | Sr2+—F− | < 180 | 1.6 | Sr2B10O14F6[99] | < 200 | 2.5 | CaB5O7F3[97] | Cmc21 | [B5O7F3]∞ | Ca2+—F− | < 180 | 2.0 | Ca2B10O14F6[99] | < 200 | 2.3 |
|
Table 3. Comparison of structural and optical properties of some fluorooxoborates deep-UV NLO materials.
部分氟化硼酸盐深紫外NLO材料的结构和光学性能比较
化合物 | 空间群 | 结构 | 层间连接方式 | 紫外截止边/nm | 倍频效应(KDP) | \begin{document}$ \beta $\end{document}![]() -KBe2B3O7[44] | Pmn21 | [Be2BO5]∞ | [BO2]∞ | < 200 | 0.75 | \begin{document}$\gamma $\end{document}![]() -KBe2B3O7[44] | P21 | [Be2BO5]∞ | [B3O6]
| < 200 | 0.68 | RbBe2B3O7[44] | Pmn21 | [Be2BO5]∞ | [BO2]∞ | < 200 | 0.79 | Na2CsBe6B5O15[45] | C2
| [Be2BO5]∞ | [BO3]
| < 200 | 1.17 | Na2Be4B4O11[46] | P1
| [Be2BO5]∞ | [B2O5]
| 171 | 1.30 | LiNa5Be12B12O23[46] | Pc | [Be2BO5]∞ | [B2O5]
| 169 | 1.40 | Li4Sr(BO3)2[67] | Cc | [SrBO3]∞ | [B2O3]
| 186 | 2.00 |
|
Table 4. Comparison of structural and optical properties of some deep-UV NLO materials of KBBF family with adjacent layers connected by rigid B—O groups.
层间含有B—O共价键连接的类KBBF结构硼酸盐深紫外NLO材料的结构和光学性能比较