Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

Min-Qiang Gai; Ying Wang; Shi-Lie Pan

doi:10.7498/aps.68.20182145

Journals >Acta Physica Sinica >Volume 68 >Issue 2 >Page 024208-1 > Article

Acta Physica Sinica
Vol. 68, Issue 2, 024208-1 (2019)

Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

Min-Qiang Gai^1,2, Ying Wang¹, and Shi-Lie Pan^1,*

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, China

²Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China

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DOI: 10.7498/aps.68.20182145 Cite this Article

Min-Qiang Gai, Ying Wang, Shi-Lie Pan. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2[J]. Acta Physica Sinica, 2019, 68(2): 024208-1 Copy Citation Text

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Fig. 1. Crystal structure model of KBBF family.KBBF族晶体结构模型

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Second harmonic generation evolution from KBBF to Pb2BO3I.从KBBF 到Pb2BO3I的倍频效应演进

Fig. 2. Second harmonic generation evolution from KBBF to Pb₂BO₃I. 从KBBF 到Pb₂BO₃I的倍频效应演进

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Fig. 3. Ball-and-stick representations of NH₄Be₂BO₃F₂(ABBF)^[79,80]. NH₄Be₂BO₃F₂ (ABBF)晶体结构模型^[79,80]

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Fig. 4. Ball-and-stick representations of AZn₂BO₃X₂ (A = K, Rb, NH₄) series^[63−81]: (a) NH₄Zn₂BO₃Cl₂; (b) KZn₂BO₃Cl₂; (c) RbZn₂BO₃Cl₂. AZn₂BO₃X₂ (A = K, Rb, NH₄)系列晶体结构模型^[63−81] 　(a) NH₄Zn₂BO₃Cl₂; (b) KZn₂BO₃Cl₂; (c) RbZn₂BO₃Cl₂

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Fig. 5. Ball-and-stick representations of KABO series^[50−52]: (a) K₂Al₂B₂O₇; (b) -Rb₂Al₂B₂O₇. KABO系列晶体结构模型^[50−52] 　(a) K₂Al₂B₂O₇; (b) -Rb₂Al₂B₂O₇

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Fig. 6. Ball-and-stick representations of Ba₃Mg₃(BO₃)₃F₃^[87]: (a) Sr₂Be₂B₂O₇; (b) Ba₃Mg₃(BO₃)₃F₃. Ba₃Mg₃(BO₃)₃F₃晶体结构模型^[87] 　(a) Sr₂Be₂B₂O₇; (b) Ba₃Mg₃(BO₃)₃F₃

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Fig. 7. Ball-and-stick representations of Sr₂Be₂B₂O₇ and BaAl₂B₂O₇. Sr₂Be₂B₂O₇和BaAl₂B₂O₇晶体结构模型

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Fig. 8. Ball-and-stick representations of K₃Sr₃Li₂Al₄B₆O₂₀F and K₃Ba₃Li₂Al₄B₆O₂₀F (KBLABF). K₃Sr₃Li₂Al₄B₆O₂₀F和K₃Ba₃Li₂Al₄B₆O₂₀F (KBLABF)的晶体结构模型

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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]

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Fig. 10. Crystal structures of the MB₄O₆F family^[92]. MB₄O₆F族氟化硼酸盐的晶体结构^[92]

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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

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化合物	空间群	结构	层间连接	紫外截止边/nm	d_eff (KDP)或d_ij/pm·V^—1
注: 上标a为计算值.
NaBe₂BO₃F₂^[20]	C2	[Be₂BO₃F₂]_∞	Na⁺—F⁻	155	d_eff = 1.7 × d_eff (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
$Unknown environment 'document'$ -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⁻	150^a	0.25
BaBe₂BO₃F₃^[43]	P6₃	[Be₂BO₃F₂]_∞	Ba²⁺—F⁻	< 185	0.1
K₂Al₂B₂O₇^[50,52]	P321	[Al₃B₃O₆]_∞	Al³⁺—O²⁻	180	0.45
K_2(1-_x₎Na₂_xAl₂BO₇^[88](0 < x < 0.6)	P321	[Al₃B₃O₆]_∞	Al³⁺—O²⁻	180	0.45
K_2(1−x)Rb₂_xAl₂B₂O₇^[82] (0 < x < 0.75)	P321	[Al₃B₃O₆]_∞	Al³⁺—O²⁻	—	0.7
K_0.67Rb_1.33Al₂B₂O₇^[83]	P321	[Al₃B₃O₆]_∞	Al³⁺—O²⁻	188	0.9
$Unknown environment 'document'$ -Rb₂Al₂B₂O₇^[51]	P321	[Al₃B₃O₆]_∞	Al³⁺—O²⁻	< 200	2.0
BaAlBO₃F₂^[84]	$Unknown environment 'document'$	[AlBO₃F₂]_∞	Ba²⁺—F⁻	165	2.0
Rb₃Al₃B₃O₁₀F^[54]	P3₁c	[Al₃(BO₃)OF]_∞	Al³⁺—F⁻Al³⁺—O²⁻	< 200	1.2
BaZnBO₃F^[64]	$Unknown environment 'document'$	[ZnBO₃F]_∞	Zn²⁺—O²⁻	—	3 × d_eff
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d_ij//pm·V⁻¹
Sr₂Be₂B₂O₇^[39]	$Unknown environment 'document'$	[Be₂(BO₃)₂O]_∞	Sr²⁺—O²⁻	155	2.5
Ba₂Be₂B₂O₇^[40,73]	$Unknown environment 'document'$	[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]	$Unknown environment 'document'$	[Li₂Al₄B₆O₂₀F]_∞	Ba²⁺—O²⁻	190	1.5
Rb₃Ba₃Li₂Al₄B₆O₂₀F^[89]	$Unknown environment 'document'$	[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]	$Unknown environment 'document'$	[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]	Cmc2₁	[B₅O₇F₃]_∞	Sr²⁺—F⁻	< 200	2.5
CaB₅O₇F₃^[97]	Cmc2₁	[B₅O₇F₃]_∞	Ca²⁺—F⁻	< 180	2.0
Ca₂B₁₀O₁₄F₆^[99]	Cmc2₁	[B₅O₇F₃]_∞	Ca²⁺—F⁻	< 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)
$Unknown environment 'document'$ -KBe₂B₃O₇^[44]	Pmn2₁	[Be₂BO₅]_∞	[BO₂]_∞	< 200	0.75
$Unknown environment 'document'$ -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

Min-Qiang Gai, Ying Wang, Shi-Lie Pan. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2[J]. Acta Physica Sinica, 2019, 68(2): 024208-1

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