CRYSTAL GROWTH & DESIGN
·
2022
·
IF 4.01
Qiaoxin Zhang,Qian Wu,Jingfang Zhou,Chuan Tang,Mingjun Xia
A noncentrosymmetric nonlinear optical (NLO) crystal Cd3Te2WO10 with a large band gap has been synthesized and grown using the high-temperature solution method with TeO2 as a flux. Cd3Te2WO10, crystallized in P21, contains two classes of d0 W6+ and lone-pair Te4+ cations holding asymmetric coordination environments which are associated with the second-order Jahn–Teller effect. Importantly, it has a large band gap of 4.28 eV, which is profitable for high-power application, and wide transparency region of 0.29–5.63 μm, especially in 1–5 μm possessing tremendous transmittance that exceeded 80% and fully covering the 3–5 μm range, which is one of the vital atmospheric windows, and a good Raman performance that arises from the WO4 polyhedra. In addition, Cd3Te2WO10 features phase-matching behavior owing to large birefringence and considerable second-harmonic generation response equivalent to 1.1 times that of KH2PO4, which is further elucidated by the theoretical calculation. Therefore, our experimental results demonstrate that Cd3Te2WO10 could be used as a promising functional NLO crystal.
研究领域:
材料科学
·
光学
✓ 已验证
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2023
·Vol. 10
·期 11
·3248-3254
·
IF 7
Linfeng Dong,Shengzi Zhang,Pifu Gong,Fei Liang,Zheshuai Lin
A defect diamond-like mid-IR NLO material, AgIn5Se8, is synthesized and its NLO performance has been systematically studied for the first time. This compound exhibits a large SHG response about 0.7 times that of commercial AgGaS2. First-principles calculations reveal that the non-bonding electrons near the Se atoms make the dominant contribution to the SHG response. Furthermore, in order to improve the optical transparency range on a short-wave edge in AgIn5Se8, material design is carried out to enlarge the band gap while keeping the strong SHG response.
研究领域:
材料科学
·
物理学
✓ 已验证
DOI
高影响因子
CHEMISTRY OF MATERIALS
·
2020
·
IF 9.567
Shujuan Han,Miriding Mutailipu,Abudukadi Tudi,Zhihua Yang,Shilie Pan
Nonlinear optical materials are the vital components of future photonic technologies as they can transfer and process data at the speed of light. However, the necessary prerequisites for a practical nonlinear optical material are very strict, and it is still a huge challenge to achieve the perfect balance among three critical parameters for nonlinear optics, including short cutoff edges, strong second-harmonic generation responses, and a suitable birefringence. Herein, via the introduction of the lone pair Pb2+ cations with stereochemical activity and the F– anions with the largest electronegativity into borate, a new fluorooxoborate PbB5O7F3 was obtained successfully. It exhibits a short cutoff edge (∼225 nm), a strong second-harmonic generation response (approximately 6 × KDP@1064 nm), and a large birefringence (cal. 0.12@1064 nm), achieving the optimal balance among the three critical parameters mentioned above for nonlinear optical applications in the short-wavelength region. The first-principles calculations were carried out to investigate the structure–property relationship of PbB5O7F3.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
CRYSTAL GROWTH & DESIGN
·
2021
·
IF 4.076
Xiaoqing Jiang,Hongping Wu,Hongwei Yu,Zhanggui Hu,Jiyang Wang,Yicheng Wu
Iodates capable of exhibiting large second-harmonic-generation (SHG) response, wide transparent windows, and ease in crystal growth are an ideal materials class for the design of mid-infrared (IR) nonlinear optical (NLO) crystals. In previous research, we have presented a new strategy for effectively designing noncentrosymmetric iodates on the basis of the structure-directing properties of d0 transition-metal (TM) oxide fluoride anions. However, due to the d–d electronic transition of TM cations, the band gaps of these TM-containing iodates are relatively small. In this study, we substituted TM cations of β-Ba[VFO2(IO3)2] (BVIF) with In3+ cations and successfully synthesized the first F–-containing indium iodate, Ba[InF3(IO3)2]. It has a similar structure and exhibits an SHG response equivalent with that of BVIF. Remarkably, however, the band gap of Ba[InF3(IO3)2] is larger than that of BVIF. The analysis of the structure–property relationship indicates that the enlarged band gap mainly originates from the removal of TM cations. In addition, due to the strong anisotropic polarization of the [IO3]− groups, Ba[InF3(IO3)2] can also exhibit a large birefringence (0.172@1064 nm), which not only is helpful for the phase-matching ability of Ba[InF3(IO3)2] in a wide wavelength range but also suggests that Ba[InF3(IO3)2] may be a potential birefringent crystal.
研究领域:
材料科学
·
晶体学
✓ 已验证
产品关联
DOI
高影响因子
INORGANIC CHEMISTRY
·
2014
·
IF 4.794
Sangen Zhao,Jia Zhang,Shu-quan Zhang,Zhihua Sun,Zheshuai Lin,Yicheng Wu,Maochun Hong,Junhua Luo
A new noncentrosymmetric borate CsZn2B3O7 was synthesized by the solid-state reaction techniques. The crystals were obtained by flux method and are of block shape without layering tendency. Single-crystal X-ray diffraction analysis reveals that the crystal structure is composed of [Zn2BO5]∞ two-dimensional layers that are bridged by [B3O6]3– groups to form a three-dimensional framework with one-dimensional channels occupied by Cs+ cations along the a and c axes. Thermal analysis indicates that CsZn2B3O7 melts incongruently. UV–visible–near-IR diffuse reflectance spectrum gives a short absorption edge at 218 nm. CsZn2B3O7 is phase-matchable, with a powder second-harmonic generation (SHG) efficiency of 1.5 × KDP (KDP, potassium dihydrogen phosphate) at 1064 nm, based on the Kurtz–Perry method. These results show that CsZn2B3O7 may have prospects as a UV nonlinear optical material. Interestingly, the SHG efficiency of CsZn2B3O7 is about twice that of γ-KBe2B3O7, a structurally analogous alkaline and alkaline earth borate. First-principles calculations combined with atom-cutting analysis reveal that the ZnO4 tetrhedral groups in CsZn2B3O7 account for the SHG enhancement.
研究领域:
材料科学
·
晶体学
✓ 已验证
DOI
PubMed
高影响因子
INORGANIC CHEMISTRY
·
2018
·
IF 4.7
Yun-Xiang Ma,Chun-Li Hu,Bing-Xuan Li,Fang Kong,Jiang-Gao Mao
A new nonlinear optical material, the first fluoride selenite nitrate PbCdF(SeO3)(NO3), was successfully synthesized by traditional solid state reactions. This compound crystallizes in the polar space group of Pca21, and its structure features a novel 2D layered structure consisting of 1D lead nitrate chains and 2D cadmium selenite layers. PbCdF(SeO3)(NO3) exhibits a phase-matchable SHG efficiency of about 2.6 times that of KDP and a wide band gap of 4.42 eV. Its laser damage threshold was measured to be 135.6 MW/cm2, which is comparative to that of the reported Li7(TeO3)3F with a short ultraviolet cutoff edge. Theoretical calculation confirmed that the synergistic effects of all the four functional units make PbCdF(SeO3)(NO3) a remarkable SHG material.
研究领域:
材料科学
·
晶体学
✓ 已验证
DOI
PubMed
高影响因子
Inorganic Chemistry Frontiers
·
2020
·Vol. 8
·期 2
·344-351
·
IF 5.958
Jiankang Wang,Binkai Xiong,Hongping Wu,Hongwei Yu,Zhanggui Hu,Jiyang Wang,Yicheng Wu
Exploring new nonlinear optical (NLO) crystals with large second harmonic generation (SHG) responses and easy crystal growth is urgent and a considerable challenge. By combining the Bi3+ cation with stereochemically active lone pairs and the d10 Cd2+ cation, a new noncentrosymmetric and polar metal phosphate, Bi32Cd3P10O76 (BCPO), has been successfully synthesized. It exhibits a large SHG response (∼4 × KDP) and a wide transmission range (0.36–4.9 μm). What's more, this compound melts congruently. We have grown its high-quality single crystals with sizes up to 19 × 13 × 6 mm3. These results indicate that BCPO will be a potential NLO material, especially for application in the 3–5 μm range. Further, its structure–property relationship has also been studied based on dipole moment calculation.
研究领域:
材料科学
·
晶体学
✓ 已验证
产品关联
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2023
·Vol. 10
·期 8
·2268-2275
·
IF 7
Xiao-Bao Li,Chun-Li Hu,Fang Kong,Jiang-Gao Mao
Four new phosphates, namely, PbZn(PO4)F (1), PbSn(PO4)Cl (2), PbSn(PO4)Br (3) and PbSn(PO4)I (4), were successfully synthesized by hydrothermal and solid-state reaction methods. PbZn(PO4)F (1) was crystallized in a polar space group Pna21 and showed a significant SHG intensity of about 1.6 × KDP. PbSn(PO4)Cl (2) and PbSn(PO4)Br (3) were isostructural compounds, and they were crystallized in a monoclinic space group P21/n while PbSn(PO4)I (4) was crystallized in a triclinic space group P. PbZn(PO4)F (1) features a new 3D framework while compounds 2–4 show a layered structure. Interestingly, the thermal stability and band gap of PbM(PO4)X are decreased with an increase of the atomic number of the halogen atom, while the rule for birefringence is the opposite. Our work revealed the evolution effects of the halogen atoms on the structure and optical properties of PbM(PO4)X compounds.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Yaqi Qin,Xueting Mu,Xiaoyu Feng,Kai Xu,Jinkang Ma,Lifeng Cao,Bing Teng
Two novel chalcone crystals, FTB (C 13 H 9 BrO 2 , P 2 1 ) and FTC (C 13 H 9 ClO 2 , Pna 2 1 ), were successfully synthesized by introducing halogen substituents, and slow evaporation method was used for these two crystals growth. The molecular stacking and arrangement of these two crystals were analyzed by using single-crystal XRD technique. The SHG intensities of the FTB and FTC crystals were 14.4 and 12.6 times higher than the simultaneously measured KDP. Their cutoff wavelengths are 350 nm and 346 nm, respectively. FTC crystals show higher thermal decomposition temperature (T m ≈ 146 °C) and FTB crystals show higher optical energy gap (E g = 3.63 eV) than other reported chalcone crystals. All the results show that these two newly grown crystals are optically promising.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
CRYSTAL GROWTH & DESIGN
·
2022
·
IF 4.01
Kai Xu,Rui Chen,Jinkang Ma,Tianhua Wang,Degao Zhong,Lifeng Cao,Bing Teng,Haitao Wu
Chalcone structures obtained by structural tailoring are an important class of molecular organic nonlinear optics (NLO) crystals that can be used for multiple purposes. In this work, two novel chalcone compound crystals with non-centrosymmetric structures, 6MN3MPP (C21H18O3, Pca21) and 6MN4MPP (C21H18O3, Pn), were designed and grown by extending the π-conjugation and structure-modifying strategy. On this basis, the second harmonic generation (SHG) efficiency, thermal stability, transmission spectra, dielectric constant, and photoluminescence properties of the crystal were characterized, and the hyperpolarizability of the crystal was theoretically calculated. The results show that the synthesized crystals exhibit higher crystal transparency (≥70%), higher melting point, and lower dielectric constant (εr ≈ 6.5) compared with other reported chalcone NLO crystals. In particular, the SHG intensity of the 6MN3MPP crystal is 4.3 times higher than that of the KDP crystal. All of the results show that the two newly synthesized compounds have good application prospects as NLO crystals.
研究领域:
材料科学
·
晶体学
·
分子设计
✓ 已验证
DOI
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2022
·
IF 6.371
Wen-Fa Chen,Bin-Wen Liu,Xiao-Ming Jiang,Guo-Cong Guo
Nonlinear optical (NLO) crystals can produce tunable lasers through the direct second-harmonic generation (SHG) process, which is of great significance in modern laser technology. Herein, a new chalcogenide β -PbGa 2 S 4 ( 1 ) crystallized in space group of Pna 2 1 was synthesized via high-temperature solid-state reactions. Compound 1 is composed of a three-dimensional framework [Ga 8 S 16 ] 8− with hexagonal voids filled by Pb atoms via covalent Pb–S interactions. Importantly, it exhibits promising NLO performances, such as phase-matchable SHG efficiency (0.6×AgGaS 2 @1200 nm and 0.1×AgGaS 2 @1910 nm), moderate band-gap (2.46 eV), suitable laser-induced damage threshold (3.0×AgGaS 2 ), and a broad IR transparency window (0.5–25.0 µm). SHG response of 1 is mainly attributable to the occupied S–3p and Ga–4p states and unoccupied S–3p and Pb–6p states.
研究领域:
材料科学
·
光学
✓ 已验证
DOI
高影响因子
INORGANIC CHEMISTRY
·
2015
·
IF 4.762
Hui Yang,Chun-Li Hu,Xiang Xu,Jiang-Gao Mao
The first examples of lanthanide borate–acetate mixed anion compounds, namely, Ln2(CH3CO2)2[B5O9(OH)]·H2O (Ln = La 1; Ce 2; Pr 3), were synthesized under hydrothermal conditions. These compounds are isostructural and crystallize in polar space group Cc. They display a unique three-dimensional (3D) framework built by a 3D network of lanthanide borate further decorated by acetate anions. The borate anion exhibits a 2D layer in the ac plane with large 9-member rings (MRs) which are filled by lanthanide(III) ions into a {Ln[B5O9(OH)]}− 2D layer. Adjacent {Ln[B5O9(OH)]}− layers are bridged by remaining lanthanide (III) ions to form a 3D network of lanthanide borate. It is noteworthy that Ln2(CH3CO2)2[B5O9(OH)]·H2O (Ln = La 1; Ce 2; Pr 3) can be changed into Ln2(CH3CO2)2[B5O9(OH)] (Ln = La 4; Ce 5; Pr 6) under heating at 500 K. Compounds 1–4 display moderate SHG signals of about 2.0, 1.0, 1.4, and 2.5 times that of KH2PO4, respectively, and they are phase matchable. Their SHG responses mainly arise from the synergistic polarization effects of both asymmetric borate clusters and π-conjugated CH3COO– anions.
研究领域:
材料科学
·
晶体学
✓ 已验证
DOI
高影响因子
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